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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
[(1S,3S,4R,4aR,7R,8R,8aS)-8-ethoxy-3,7-dihydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
498.60
3.6
2
7
102.29
7
[(1S,3S,4R,4aR,7R,8R,8aS)-3,7-dihydroxy-8-methoxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
484.60
3.2
2
7
102.29
6
Lactinolide
200.23
0.2
2
4
66.76
0
6-[[8a-[3-[5-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
1221.30
-1
15
27
429.89
13
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
196.20
0.7
2
4
66.76
4
3',4',5'-Trimethoxyacetophenone
210.23
1.2
0
4
44.76
4
Catechin 5-glucoside
452.40
-1.4
8
11
189.53
4
3-Glucogallic acid
332.26
-1.7
7
10
177.14
4
Torachrysone 8-glucoside
408.40
1.2
5
9
145.91
5
N-Benzyloxycarbonylglycine
209.20
1
2
4
75.63
5
2-Heptaprenylhydroquinone
586.90
14.3
2
2
40.46
20
5,6-Dimethoxyflavone
282.29
3.1
0
4
48.67
3
3-[Glycerolylphosphonyl]-[1,2-DI-phytanyl]glycerol
807.20
15.3
3
8
124.49
40
Flavonol base + 4O, O-dHex, O-dHex
594.50
-0.4
9
15
249.2
5
4-Hydroxyundecyl docosanoate
510.90
14.2
1
3
46.53
31
1,3-dimethoxy-5-prop-2-enyl-2-[(2R)-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxybenzene
402.50
5.2
0
6
55.38
11
Beilschmin B
432.50
4.3
0
7
64.61
8
methyl (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tetradeca-2,13-dienoate
310.40
4.8
1
4
63.6
14
Coniferyl p-hydroxybenzoate
300.30
3.2
2
5
75.99
6
[(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-2-yl]methyl acetate
526.80
8.4
0
4
52.6
5
3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol
314.29
2.8
4
6
107.22
5
4',5,8-Trihydroxyflavanone
272.25
2.4
3
5
86.99
1
(2R,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
546.50
3.1
8
10
180.3
3
5-Hydroxy-7,8,4'-trimethoxyflavone
328.30
3.3
1
6
78.13
4
CID 14353383
770.70
-2.1
11
20
317.35
9
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