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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
alpha-Isolupanine
248.36
1.6
0
2
23.55
0
Roemerine
279.30
3.3
0
3
21.7
0
Matairesinol
358.40
3.3
2
6
85.22
6
(1R,2S,4S,5R,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-3,7,10-trioxapentacyclo[6.4.1.19,12.02,4.05,13]tetradecane-6,11-dione
310.30
-1
2
7
105.59
1
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
208.21
1.4
1
4
55.76
4
3,4-Dihydroxyphenylacetaldehyde
152.15
0.4
2
3
57.53
2
3-Heptadecylcatechol
348.60
10.1
2
2
40.46
16
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1018.20
0
12
21
319.84
11
Hydroxyethylcysteine
165.21
-3.4
3
5
108.85
5
3-deoxy-D-manno-octulosonate
238.19
-3.6
6
8
155.52
7
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,7-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
480.60
0.6
6
7
138.45
6
2-Benzylbenzoic acid
212.24
2.3
1
2
37.3
3
Epifriedelanol
428.70
10.1
1
1
20.23
0
Dioscin
869.00
1.3
8
16
235.68
7
Solasonine
884.10
1.1
10
17
258.71
8
Epoxyoleic acid
298.50
6.1
1
3
49.83
15
12-Deoxyphorbol
348.40
0.1
4
5
97.99
1
Astilbin
450.40
0.4
7
11
186.37
3
3-Methylquinoline
143.18
2.5
0
1
12.89
0
Phaseollidin
324.40
4.2
2
4
58.92
2
Kievitone
356.40
4.1
4
6
107.22
3
Cucurbitacin S
498.60
3.2
2
6
100.9
1
Linustatin
409.39
-3.8
7
12
202.32
6
Ginsenoside Rh2
622.90
5.6
6
8
139.84
7
3,3'-Dimethylbiphenyl
182.26
4.3
0
0
0
1
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