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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
(2S,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
464.70
4.7
4
5
97.99
5
(2R,3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
464.70
4.7
4
5
97.99
5
tris-Epibrassinolide
480.70
4.8
4
6
107.22
5
(1S,2R,4R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
480.70
4.8
4
6
107.22
5
1-(1-Methylsulfanylethylsulfanyl)ethanethiol
168.40
2.9
1
3
89.4
3
D-Mannitol 1-phosphate
262.15
-4.7
7
9
177.72
7
N-Feruloylanthranilic acid
313.30
2.9
3
5
95.86
5
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E)-6-oxohexa-2,4-dienoate
514.60
0.6
3
9
147.43
8
1-Phenyl-1-cyclohexene
158.24
4.5
0
0
0
1
5,6,10-Trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
222.37
4.2
1
1
20.23
0
(2E)-N-(2-Hydroxyethyl)-3-(methylsulfanyl)prop-2-enamide
161.22
-0.4
2
3
74.63
4
(1S,2S,8aS)-1-[[(1R,4aR,8aS)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl]-1,5,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
616.70
5.5
3
9
151.34
5
1-Naphthaleneethanol
172.22
3.2
1
1
20.23
2
Ethyl mandelate
180.20
1.5
1
3
46.53
4
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
180.24
2.9
0
2
26.3
3
CID 13051622
815.30
15.1
3
7
105.45
25
Campesterol 6'-hexadecanoylglucoside
801.20
14.6
3
7
105.45
24
Campesteryl (6a(2)-O-palmitoyl)glucoside
801.20
14.6
3
7
105.45
24
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
801.20
14.6
3
7
105.45
24
Guayulin D
370.50
4.2
1
4
55.76
4
4-(1-Hydroxypropyl)phenol
152.19
1.6
2
2
40.46
2
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
578.50
2.4
10
12
220.76
3
9,10-Dihydrophenanthrene
180.24
4.5
0
0
0
0
Gynosaponin S
947.20
1.9
12
18
298.14
13
(2R,3R,4R,5R,6S)-2-butoxy-6-methyloxane-3,4,5-triol
220.26
-0.3
3
5
79.15
4
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