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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
Heliangin
362.40
1.9
1
6
85.36
3
Hesperaline
268.33
2
0
4
44.76
7
(2R)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
302.28
2.4
3
6
96.22
2
1,6,7-Trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
436.40
0
7
11
190.28
3
beta-Himachalol
222.37
3.5
1
1
20.23
0
Hinokiol
302.50
5.2
2
2
40.46
1
(-)-Hinokiresinol
252.31
4.4
2
2
40.46
4
Hinokiic acid
234.33
4.1
1
2
37.3
1
6,7,13-Trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
325.50
4.3
0
2
20.31
0
(1R,2S,5S,6S,9R,12S,13R)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
325.50
4.3
0
2
20.31
0
(2R,3R,4S,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
Holarrhenine
372.60
3.7
1
3
26.71
1
Isotrilobine
576.70
6.3
0
7
52.63
2
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
518.70
3
2
7
94.45
4
Somalin
518.70
3
2
7
94.45
4
5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
410.70
10.1
0
0
0
1
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]chrysene
410.70
10.2
0
0
0
1
Hopene II
410.70
10.2
0
0
0
1
5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene
410.70
10.7
0
0
0
0
Hop-21-ene
410.70
10.7
0
0
0
0
Hulupinic acid
264.32
3.4
2
4
74.6
4
(-)-Fustin
288.25
1.3
4
6
107.22
1
2-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
264.36
0.9
1
3
43.78
0
10-Hydroxycodeine
315.40
0
2
5
62.16
1
13beta-Hydroxylupanine
264.36
0.6
1
3
43.78
0
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