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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
(2R)-2-[[(8S,9S,12R,15R,18R,21S,27R)-12-[(2R)-butan-2-yl]-21-[3-(diaminomethylideneamino)propyl]-10,13,16,19,22,25-hexaoxo-9-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-8,15-di(propan-2-yl)-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
1143.30
-1
15
14
461.61
17
(6R)-6-hydroxy-5,7,7-trimethyl-3,4,6,8-tetrahydrocyclopenta[g]isochromen-1-one
246.30
2.5
1
3
46.53
0
4a-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-7-carbaldehyde
344.31
-2.5
5
9
145.91
4
[(1S,3R,8R,10S,11R,14R,16S)-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-14-yl] acetate
374.50
2.9
0
5
65.13
2
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-hydroxy-8-methylsulfanyloctanimidothioate
383.50
1.5
5
9
173.34
11
(5R)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytetradec-4-enyl]oxolan-2-yl]-5-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
606.90
7.4
2
7
110.13
26
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] docos-13-enoate
679.10
17.4
1
5
72.83
41
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadec-11-enoyloxypropyl] octadec-11-enoate
1006.10
10
5
15
285.11
44
[(2S)-1-hydroxy-3-octadeca-9,12-dienoyloxypropan-2-yl] octadecanoate
621.00
14.6
1
5
72.83
36
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-11-enoate
718.00
10.4
2
9
144.19
40
[(2S)-1-hydroxy-3-octadec-9-enoyloxypropan-2-yl] icos-11-enoate
649.00
15.4
1
5
72.83
38
[(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] icosa-8,11,14-trienoate
675.10
16.3
0
2
26.3
22
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] octadec-9-enoate
617.00
13
1
5
72.83
34
[(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosa-4,7,10,13,16,19-hexaenoate
697.10
15.5
0
2
26.3
21
11-[3-[3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyheptadecanoic acid
887.00
0.9
11
20
313.44
24
3-[2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-3-(sulfooxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
452.40
1.7
3
10
157.2
8
3-[4-[1,3-Dihydroxy-1-(3-methoxy-4-sulfooxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid
470.40
1.1
4
11
177.43
11
2-[3-Oxo-2-(4-sulfooxypentyl)cyclopentyl]acetic acid
308.35
0.3
2
7
126.35
8
2-[3-Oxo-2-(5-sulfooxypentyl)cyclopentyl]acetic acid
308.35
0.4
2
7
126.35
9
2-Hydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxybenzoic acid
286.23
-0.4
5
8
136.68
3
[(2S)-1-hydroxy-3-octadeca-9,12,15-trienoyloxypropan-2-yl] icos-11-enoate
645.00
14.1
1
5
72.83
36
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,4R,5R,10R,13R,14R,17R)-4-(hydroxymethyl)-17-[(2R)-6-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
634.90
5.2
6
8
139.84
9
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-5-[3-(4-methoxyphenyl)prop-2-enoyloxy]-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1427.50
-0.7
16
31
485.65
20
(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1371.50
-2.7
18
31
484.13
16
[(2S)-2,3-dihydroxypropyl] icos-11-enoate
384.60
7.6
2
4
66.76
21
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