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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
Excavatin L
358.30
1.9
1
7
98.5
6
(2R,3S,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
348.50
4.4
1
3
46.53
2
(1R,4aS,4bR,6aS,8S,9R,10aS,10bS,12aS)-1-ethenyl-8-hydroxy-9-methoxy-10a,12a-dimethyl-1,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]isochromen-3-one
362.50
4.2
1
4
55.76
2
6-Prenylsakuranetin
354.40
4.6
2
5
75.99
4
(7R,8R)-7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
436.50
4.8
2
6
85.22
4
Methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate;bromide
236.11
1
3
30.74
2
[(1R,4R,4aS,8aS)-3,4-diformyl-4a,8,8-trimethyl-1,4,5,6,7,8a-hexahydronaphthalen-1-yl] acetate
292.40
2.7
0
4
60.44
4
Tritriacontane-16,18-dione
492.90
14.5
0
2
34.14
30
cis-Ferulic acid
194.18
1.5
2
4
66.76
3
(1R,2R,6S,7R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
218.33
3.1
0
1
17.07
0
(1aR,4aS,7R,8aS)-4a,8,8-trimethyl-2-methylidene-1a,3,4,5,6,7-hexahydro-1H-cyclopropa[j]naphthalen-7-ol
220.35
3.5
1
1
20.23
0
(1S)-1-[(2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol
306.50
4.5
2
2
40.46
2
Leucophleol
322.50
3.2
3
3
60.69
2
(1R)-1-[(2S,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
322.50
3.2
3
3
60.69
2
(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate
188.22
-1.7
2
3
96.87
4
(+)-Perillaldehyde
150.22
2.6
0
1
17.07
2
(1S,2S,4S,10R,11R,15S)-4-(furan-3-yl)-11-hydroxy-2,10-dimethyl-5,13-dioxatetracyclo[8.6.0.02,7.011,15]hexadec-7-ene-6,12-dione
358.40
2.2
1
6
85.97
1
(Z)-resveratrol
228.24
3.1
3
3
60.69
2
Chavicine
285.34
3.5
0
3
38.77
3
2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol
220.35
3.8
1
1
20.23
2
Isopiperine
285.34
3.5
0
3
38.77
3
Isochavicine
285.34
3.5
0
3
38.77
3
N-Methylpelletierine
155.24
0.8
0
2
20.31
2
Zucapsaicin
305.40
3.6
2
3
58.56
9
Capsaicin
305.40
3.6
2
3
58.56
9
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