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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
dihydrophaseic acid 4-O-beta-D-glucoside
444.50
-0.7
6
10
166.14
6
Camellianoside
742.60
-2.8
12
20
328.35
8
(1S,2S,4S,6R,7S,8R,9S,12S,13R,15R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-15,16-diol
430.60
4.7
2
4
58.92
0
(1R,2R,9R)-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one
233.26
1.2
0
4
38.77
0
Elephantorrhizol
322.27
-0.4
7
8
150.84
1
2-(Methylthio)benzothiazole
181.30
3.1
0
3
66.43
1
S-1-Propenyl-L-cysteine
161.22
-2
2
4
88.62
4
Validol
240.38
4.9
0
2
26.3
5
Mitorubrinol
398.40
2
3
8
130.36
5
(2S)-4-[(2R)-9-[(2S,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
638.90
8.2
4
8
125.68
25
Torreyol
222.37
3.3
1
1
20.23
1
Ethyl tridecanoate
242.40
6.2
0
2
26.3
13
2-(3,4-Dihydroxyphenyl-d3)ethylamine
156.20
-1
3
3
66.48
2
Acanthopanaxoside B
1263.40
-0.7
14
27
418.89
16
(2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
764.90
3.2
7
13
212.67
6
Mooloolabene A
354.50
5.3
0
2
34.14
2
Mooloolabene C
412.60
4.5
0
4
60.44
5
Mooloolabene D
456.60
5.2
0
5
61.83
4
Mooloolaldehyde
428.60
6.3
0
4
52.6
3
Mooloolabene B
354.50
5.3
0
2
34.14
2
Mooloolabene E
398.60
5.8
0
3
35.53
2
(2S,3S,4S,5R,6R)-6-[[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
646.80
5.1
4
10
155.28
3
(2S,3S,4S,5R,6R)-6-[[(1S,2R,4S,5R,6S,9S,11R,14R,18S,23S)-1,6,10,10,14,21,21-heptamethyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricos-15-en-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
808.90
3.3
8
15
245.43
7
Kalanchoside A
562.60
-0.1
5
10
166.89
4
Kalanchoside B
562.60
-0.1
5
10
166.89
4
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