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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
Borneol lactate
226.31
3
1
3
46.53
3
Euphorbia factor L8
523.60
4.5
0
8
108.86
7
Kalmvcdxdqybpa-wqxojwcksa-
532.70
5.8
4
7
124.29
8
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
536.50
0.9
5
12
181.44
9
(1R,5S,13S,21R)-9,19-dimethoxy-18-methyl-5,13-diphenyl-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaene-17,21-diol
538.60
5.8
2
7
86.61
4
methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
548.50
3.1
1
10
118.98
8
2,4,6-Trimethylphenol
136.19
2.7
1
1
20.23
0
taxinine NN-7
564.70
3.9
1
8
116.2
8
(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-5,6-dibenzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
572.60
6.5
2
8
123.27
7
(1R,6S,7S,13S,21R)-7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
576.50
1.3
9
12
209.76
2
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
580.70
-1.3
5
11
172.21
5
[(3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-10,13-dimethyl-1-oxo-3,4,7,8,9,11,12,14,15,16-decahydro-2H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
586.70
1.5
4
10
168.2
5
(3S,4S,4aS,5R,6R,6aS,7R,11aS,11bR)-5,6-dibenzoyloxy-3,4a-dihydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
588.60
5.9
3
9
143.5
7
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-phenylprop-2-enoate
592.50
3.5
5
12
185.35
9
Quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside]
594.50
-0.2
9
15
249.2
5
cis-Annonacin
596.90
8.4
4
7
116.45
26
Arianacin
596.90
8.8
4
7
116.45
26
[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-3-methoxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
624.50
1.8
8
14
236.81
8
Cryptophycin 17
625.10
6.7
3
7
131.03
7
1-[2-hydroxy-3,6-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
626.60
-0.7
8
15
234.29
12
Cryptophycin 40
641.10
5.7
2
8
132.56
8
ginsenoside Rh5
652.90
4.8
6
9
149.07
8
Cryptophycin 38
655.20
6.2
2
8
132.56
8
[(2R,3S,4S,5R,6R)-6-[(3S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
658.60
1.7
8
14
232.9
15
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
664.80
2.6
7
11
194.21
5
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