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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
H-Gly-Phe-Pro-Cys(1)-Gly-Glu-Ser-Cys(2)-Val-Tyr-Ile-Pro-Cys(3)-Phe-Thr-Ala-Ala-Ile-Gly-Cys(1)-Ser-Cys(2)-Lys-Ser-Lys-Val-Cys(3)-Tyr-Lys-Asn-OH
|
3173.70
|
-8.1
|
40
|
50
|
1321.27
|
47
|
|
|
(1S,12S,13R)-12-(2,5-dimethoxyphenyl)-12-hydroxy-5-methoxy-6-methyl-16-oxa-7-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
|
423.50
|
2.7
|
2
|
7
|
90.01
|
4
|
|
|
methyl (2S,3S,3aR,6R,7S,7aR)-3-hydroxy-7-[(2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-3,3a,6,7-tetramethyl-1,2,4,5,6,7a-hexahydroindene-2-carboxylate
|
396.50
|
2.4
|
3
|
7
|
113.29
|
5
|
|
|
(1S,10S,11S,12S,13S,14R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12,14-triol
|
279.37
|
0
|
3
|
4
|
63.93
|
0
|
|
|
[(1Z,3S,3aS,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-2-oxo-7-propan-2-ylspiro[3,3a,5,6,7,7a-hexahydroindene-4,2'-oxirane]-5-yl] (E)-3-methylpent-2-enoate
|
446.60
|
5.4
|
0
|
6
|
82.2
|
9
|
|
|
3-[(1S,4aR,4bS,6aR,9R,10aS,12aR)-6a-hydroxy-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-6-oxo-2-prop-1-en-2-yl-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid
|
472.70
|
4.7
|
3
|
5
|
94.83
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
646.80
|
5.7
|
5
|
10
|
170.82
|
4
|
|
|
(1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid
|
320.50
|
4.4
|
2
|
3
|
57.53
|
5
|
|
|
(1S,2R,9S,11S,13R,15S,17S)-15-methyl-6-oxido-10-oxa-6-azoniapentacyclo[7.7.1.01,6.02,11.013,17]heptadecane-13,17-diol
|
295.37
|
0
|
2
|
4
|
72.75
|
0
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
838.80
|
-1.5
|
8
|
21
|
309.26
|
14
|
|
|
butyl 3-[(1R,2R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
|
562.80
|
3.6
|
4
|
7
|
124.29
|
9
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] 2-methylprop-2-enoate
|
656.80
|
3.8
|
0
|
11
|
136.8
|
13
|
|
|
(3S,8S,9S,10R,13S,14S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(2S,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
|
901.00
|
-0.5
|
10
|
18
|
291.82
|
14
|
|
|
(2E,4E,6E,9S,10R)-4,10-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-2,4,6-trienedioic acid
|
430.40
|
0.5
|
6
|
10
|
173.98
|
11
|
|
|
(1S,12S)-6-(hydroxymethyl)-5-methoxy-12-phenyl-16-oxa-7-azatetracyclo[10.3.1.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
|
363.40
|
2.5
|
2
|
5
|
71.55
|
3
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-6-[[(1S,2S,9S,12S,13R,16S,18R,19R)-18,19-dihydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6-dien-16-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1209.30
|
-3
|
16
|
27
|
429.12
|
16
|
|
|
4-[2-[(1R,3S,3aS,7aS)-1-methoxy-4,4,7a-trimethyl-3-propanoyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-yl]ethyl]-2-methoxy-2H-furan-5-one
|
394.50
|
3.9
|
0
|
6
|
71.06
|
7
|
|
|
4-[(Z,4R,5S)-4-hydroxy-5-(4-hydroxyphenyl)-5-methoxypent-1-enyl]phenol
|
300.30
|
2.9
|
3
|
4
|
69.92
|
6
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
|
496.70
|
7.6
|
1
|
4
|
63.6
|
3
|
|
|
(1R,2S,6R,7S,8S,9S,12S,13R,16S,18R,19R)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,8,18,19-tetrol
|
953.10
|
-2.4
|
14
|
21
|
347.83
|
12
|
|
|
[(1S,4R,5S,6R,8R,9R,10R,13S,14R,15S,19R,22R)-22-acetyloxy-5-hydroxy-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosan-14-yl]methyl acetate
|
572.60
|
1.1
|
1
|
11
|
143.26
|
6
|
|
|
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
|
334.40
|
3.3
|
2
|
4
|
66.76
|
3
|
|
|
(1R,9S,11R,13E)-1-amino-13-ethylidene-11-(hydroxymethyl)-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
|
260.33
|
-0.7
|
3
|
3
|
79.11
|
1
|
|
|
1-[(1S,3R,3aS,4S,6R,6aS)-6-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-4-[4-(4-hydroxyphenyl)-2-oxobutyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-4-(4-hydroxyphenyl)butan-2-one
|
652.70
|
4.8
|
4
|
9
|
142.75
|
13
|
|
|
methyl (1R,12S,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
|
354.40
|
3.1
|
2
|
5
|
61.8
|
3
|
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