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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
Proto-Gracillin
1065.20
-1.2
14
23
366.29
15
Ambap51542-56-4
947.20
1.6
12
18
298.14
12
Ambap80418-24-2
933.10
1.1
12
18
298.14
12
[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[[(1S,2R,5R,7S,10R,11R,15S,16S,18R,20S)-7-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate
981.20
3.7
6
18
247.82
11
Ambap17754-44-8
803.00
3
16
272.14
10
[(4S,8R,9S,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate
435.30
0.8
3
7
113.29
5
2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-cyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)benzofuro[3,2-b]chromen-11-one
708.70
6.3
8
12
214.44
6
(11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
263.37
3
0
3
29.54
1
(2R,3S)-2-(4-hydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-yl]chromane-3,5,7-triol
954.70
0.4
13
27
447.09
5
(10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
260.33
0.6
1
3
45.47
0
(1R,2R,6S,7S,8R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
584.70
5.7
3
8
117.98
12
(1R,3E,11S,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
334.40
2.2
3
4
77.76
0
[(3aR,4S,6E,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
346.40
1.4
1
6
89.9
3
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
264.32
-0.1
2
4
66.76
0
(4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
351.40
0.6
2
7
96.3
1
beta-Codeine
299.40
1.6
1
4
41.93
1
SureCN26387
271.31
0.3
3
4
61.72
0
SureCN14007024
562.60
6
5
8
132.75
2
(2S,3R,4S,6aR,6bR,8aS,12aS,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-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-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
1457.60
-0.7
16
32
494.88
21
[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
622.60
-0.6
8
15
234.29
8
1'-[1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
1381.90
27.2
3
17
256.57
80
1'-[1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
1379.90
26.3
3
17
256.57
79
1'-[1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
1377.90
25.6
3
17
256.57
78
1'-[1-Hexadecanoyl-2-eicosanoyl-sn-glycero-3-phospho],3'-[1,2-dihexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
1409.90
28.3
3
17
256.57
82
[(2R)-3-[[(2S)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
1409.90
28.3
3
17
256.57
82
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