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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
Lyciumoside II
792.90
0.4
11
17
277.91
20
alpha-Acetyldigoxin
823.00
1.8
5
15
209.13
9
CID 11766338
927.10
3
10
18
291.82
10
CID 11766372
938.70
2.4
15
26
444.18
9
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
943.10
1.6
11
18
294.98
9
Polygalasaponin LII
959.10
0.8
12
19
315.21
10
N-[10-(13,14-Methylenedioxyphenyl)-7(E),9(Z)-pentadienoyl]-pyrrolidine
271.31
3.1
0
3
38.77
3
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
606.60
3.3
4
12
174.35
10
[(1S,3R,13S,14R,17S,18R,19R,20S,21S,23R,24R,25S)-18,21-diacetyloxy-19,24,25-trihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
677.60
-1.1
3
16
231.38
7
[(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-3,7-diacetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate
678.90
6
0
10
123.66
11
1,2,3,4,6-PENTA-O-BENZOYL-beta-D-GLUCOPYRANOSE
700.70
8.9
0
11
140.73
16
Gentianose
504.40
-5.8
11
16
268.68
8
Cerebroside C
754.10
11
7
9
168.94
33
methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
795.00
4.8
2
11
133.87
10
Anthragallol
256.21
2.4
3
5
94.83
0
(2S,3S)-2,3-diaminobutanoic acid
118.13
-3.2
3
4
89.34
2
Hypoglycin
141.17
-2.5
2
3
63.32
3
(4R)-4-Hydroxy-1-methyl-L-proline
145.16
-2.9
2
4
60.77
1
(E)-4-acetyloxy-3-methylbut-2-enoic acid
158.15
0.6
1
4
63.6
4
L-fructofuranose
180.16
-2.3
5
6
110.38
2
(1S,6R)-alpha-himachalene
204.35
4.5
0
0
0
0
Ethyl beta-D-fructofuranoside
208.21
-1.2
4
6
99.38
4
Arabinofuranosyluracil
244.20
-2
4
6
124.78
2
2-[(8S,8aS)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-5-yl]propan-2-ol
220.35
2.6
1
1
20.23
1
Cubenol
222.37
3.7
1
1
20.23
1
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