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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
Lappalone
290.40
1.6
1
4
63.6
2
6Z,9Z-Heneicosadiene
292.50
10
0
0
0
16
(5R,8S,9S,10R,13S,14S,17S)-5,17-dihydroxy-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
306.40
2.3
2
3
57.53
0
2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetic acid
314.29
-0.9
5
8
136.68
5
N-[4-(2-Methyl-4-hydroxy-2-butenoylamino)butyl]cinnamamide
316.40
1.6
3
3
78.43
9
methyl (9R,10R)-9,10-dihydroxyoctadecanoate
330.50
5.5
2
4
66.76
17
Plicadin
334.30
4
1
5
72.81
0
(1S,3S,5S,6R,8aS)-3-hydroxy-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid
336.50
3
3
4
77.76
5
(2R,3R,4S,6S)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoic acid
338.40
1.8
2
6
104.81
7
17-o-Methylakagerine
338.40
2.7
0
3
34.47
3
Kallosin A
344.40
3.4
1
5
72.83
2
Ovalichromene B
350.40
3.6
0
5
53.99
1
[(2R,3S,3aE,5S,8R,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
358.50
3.8
0
4
60.44
3
4-Hydroxy-6-(4-hydroxy-2-methoxyphenyl)-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
368.40
4.2
2
6
85.22
3
[(1S,4S,5R,9S,10R,13R,14S)-5-formyloxy-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
378.50
3.9
1
5
72.83
5
Apocynoside I
386.40
-1.2
5
8
136.68
6
2-(alpha-D-Mannopyranosyl)-L-tryptophan
366.40
-3.7
7
8
169.26
5
Specionin
394.40
1.4
2
8
106.98
8
(8S,13aR)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
421.40
3.2
6
7
124.62
2
Isoplagiochin C
422.50
6.5
4
4
80.92
0
(24r)-3b-Hydroxystigmast-4-en-6-one
428.70
8.5
1
2
37.3
6
(3S,5R,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
430.70
6.7
2
3
57.53
5
[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
436.40
1.1
6
10
166.14
8
adenanthin E
436.50
1.6
3
7
113.29
4
Galegine
127.19
0.3
2
1
64.4
2
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