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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
5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
360.30
2.6
3
8
118.59
4
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
476.40
1.1
6
12
196.35
5
4-Hydroxyhippuric acid
195.17
-0.6
3
4
86.63
3
13-Methyltetradecanoic acid
242.40
5.5
1
2
37.3
12
1-[(1R)-1,3-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
200.32
4.5
0
0
0
1
4alpha,14alpha-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
412.70
8.5
1
1
20.23
4
5-Methoxytryptophan
234.25
-0.8
3
4
88.34
4
Daphneside
502.40
-2.4
8
14
228.97
6
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
414.40
-0.7
5
10
155.14
10
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-phenylprop-2-enoate
384.40
-0.7
5
9
145.91
9
Regaloside K
416.40
-1.4
7
11
186.37
9
[(2R)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
416.40
-1.4
7
11
186.37
9
Eugenol rutinoside
472.50
-0.8
6
11
167.53
8
2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde
332.40
4.5
2
4
74.6
4
(1S,2S,4S,7R,9R,13S,14R,15S,16S,17S)-4,16-dihydroxy-15-methoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-3,11-dione
366.40
1.3
2
6
93.06
1
(1S,2R,7R,9R,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,6,11-trione
392.40
1.1
1
7
99.13
2
[(1S,7S,8S)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methyl-2-propanoyloxybut-2-enoate
311.37
2
1
6
76.07
7
gamma-Glu-leu
260.29
-2.4
4
6
129.72
8
5-Deoxystrigol
330.40
2.7
0
5
61.83
2
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
931.10
-0.2
12
19
315.21
9
(4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
829.00
0.9
11
16
276.52
8
(3R)-3-methyltetradecan-2-one
226.40
6.2
0
1
17.07
11
Selenocystine
334.11
4
6
126.64
7
b-Sitosterol b-D-Glucuronide
590.80
8
4
7
116.45
9
1-Methylcyclopropene
54.09
1
0
0
0
0
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