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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
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18R,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol
448.60
4.2
3
5
79.15
0
(2R,3R,4R,5R,6S)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-methyloxane-3,4,5-triol
506.50
0.8
5
10
147.3
9
(1R,2'S,3S,4'S,6'S,9'R)-6'-ethyl-2,2,9'-trimethyl-3-(methylamino)spiro[cyclopentane-1,14'-tetracyclo[8.5.0.02,4.04,9]pentadeca-1(15),10,12-triene]-7'-one
365.60
4.5
1
2
29.1
2
Glyurallin A
352.40
4.7
2
5
72.06
3
Glyurallin B
422.50
6.2
4
6
111.13
5
12,13-Epoxybakuchiol
272.40
4.6
1
2
32.76
6
Delta3,2-Hydroxylbakuchiol
272.40
4.3
2
2
40.46
6
5,7-Dihydroxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one
314.29
3
2
6
89.13
3
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13S,13aS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-13-ol
426.70
9.2
1
1
20.23
1
(3R,3aR,5aR,5bR,7aS,11aS,11bR,13S,13aR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-13-ol
426.70
9.2
1
1
20.23
1
(1R,3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-1-ol
426.70
8.9
1
1
20.23
1
[(3R,3aR,5aS,7aS,11aR,11bS,13aS,13bR)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11a-yl]methanol
426.70
9.1
1
1
20.23
2
[(3S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl] acetate
428.70
9.3
0
2
26.3
2
(1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl) 3,4,5-trihydroxybenzoate
952.60
-0.6
14
27
450.25
3
Ulmoidol
470.60
4.4
2
5
79.29
0
Ancistrocline
421.50
5.4
1
5
51.16
4
Rabdosin C
406.50
1.6
2
7
110.13
4
Desoxy-14,15-epoxyprieurianin
746.80
2.9
1
15
203.7
17
4H-Dibenzo(de,g)quinolin-3-ol, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-
297.30
2.6
2
4
50.72
2
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester
506.40
1.1
6
13
205.58
6
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-7-yl
492.40
0.7
7
13
216.58
5
(2R,3R,4S,4aS,10bS)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
314.24
-1.3
6
9
156.91
1
beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
781.00
4.7
8
13
215.83
6
3-Ethyl-5-methyl-1,2-cyclopentanedione
140.18
1.1
0
2
34.14
1
Caryophylla-2(12),6(13)-dien-5-one
218.33
3.7
0
1
17.07
0
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