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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
Gal(b1-3)Gal(b1-3)aldehydo-Gal
504.40
-6.6
11
16
276.52
11
(1R,14R)-3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene
418.50
4.8
0
5
46.15
1
4-methyl-1-[(E)-6-methylhept-3-en-2-yl]cyclohexene
206.37
5.1
0
0
0
4
Chrysanin
346.40
2.8
1
5
72.83
3
Cassialoin
418.40
0
7
9
167.91
2
(1R,2R,4S,5R,9S,10S,12R,13R,14S)-2-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid
318.40
3.9
2
3
57.53
1
(1S,2S,4aR,4bR,8aS,9S,10aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,9-diol
392.60
5.5
3
3
60.69
4
(1S,2R,5S,6S,9S,11R,12S,13S)-6-(furan-3-yl)-13-hydroxy-5,12,16,16-tetramethyl-7,10,17-trioxahexacyclo[13.3.3.01,15.02,12.05,11.09,11]henicos-19-ene-8,14,21-trione
468.50
1.7
1
8
115.57
1
(1R,3aR,5aR,5bS,7aS,9S,11aS,11bR,13aS,13bR)-3a,5a,7a,11b,13a-pentamethyl-8-methylidene-1-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol
426.70
9.3
1
1
20.23
1
Carindone
512.70
3.7
2
6
100.9
2
[(5R,6S,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate
494.60
5.3
0
6
82.81
5
(2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-one
220.35
4.9
0
1
17.07
3
[(1S,8'R)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate
397.40
2.5
1
7
77.46
3
Grayanotoxin IV
394.50
0.9
4
6
107.22
2
Dehydrolupeol
424.70
9.7
1
1
20.23
1
(2S,3S,4R,6R)-6-[[(1S,2R,5S,7S,10S,11S,14R,17S,18S)-10,17-dimethyl-16,21-dioxahexacyclo[15.3.1.01,14.02,11.05,10.014,18]henicosan-7-yl]oxy]-4-methoxy-2-methyloxan-3-amine
475.70
3.7
1
6
72.17
3
(10S)-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-3,13-diol
361.40
1.3
2
6
71.39
3
(3aS,6Z,9S,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
248.32
1
1
3
46.53
0
4-[(2S,3S,4S)-2-[(S)-(3,4-dihydroxyphenyl)-hydroxymethyl]-4-hydroxyoxolan-3-yl]benzene-1,2-diol
334.30
0.5
6
7
130.61
3
(3aR,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
232.32
3.3
0
2
26.3
0
Jubanine A
695.80
5.5
3
7
129.31
11
Jubanine B
729.90
5.8
3
7
129.31
11
S-Japonin
336.50
4.4
0
4
68.67
4
(1R,4aR,8aR)-1-ethyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
190.32
4.1
0
0
0
1
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
510.60
2.3
4
7
124.29
5
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