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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
(S)-3-Methylheptane
114.23
4.3
0
0
0
4
4alpha-Phorbol 12-myristate 13-acetate
616.80
6.5
3
8
130.36
17
Emodin anthrone
256.25
3.2
3
4
77.76
0
(E)-N-(2-aminoethyl)-3-(4-methoxyphenyl)prop-2-enamide
220.27
0.7
2
3
64.35
5
Decanoyl acetaldehyde
198.30
3.7
0
2
34.14
10
Aschantin
400.40
2.8
0
7
64.61
5
Mallotojaponin
444.50
4.8
5
8
144.52
7
2,5-Dimethylfuran
96.13
2.2
0
1
13.14
0
4'-Demethylpodophyllotoxin
400.40
1.7
2
8
103.68
3
Trigoforin
188.22
2.6
0
2
30.21
0
Atalaphillinine
377.40
5.7
3
5
82.55
2
1,5-Dicaffeoylquinic acid
516.40
1.5
7
12
211.28
9
Lysicamine
291.30
3.5
0
4
48.42
2
(2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid
228.14
-7.8
4
8
154.91
7
(S)-4-deoxygadusol
188.18
-1.4
3
5
86.99
2
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate
613.00
0
9
143.47
6
Chlorophyll b'
907.50
0
10
140.72
23
(9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
344.30
1.4
2
7
117.97
2
Diosquinone
390.30
3.3
2
7
121.27
1
2,5-Dimethyl-7-methoxychromone
204.22
2.3
0
3
39.44
1
1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
380.40
-0.8
4
7
124.29
1
Celastrol
450.60
5.9
2
4
74.6
1
6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol
594.70
6
2
8
83.86
2
3-[(2,6-Dideoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
518.70
3
2
7
94.45
4
Procyanidin B2, (+)-
578.50
2.4
10
12
220.76
3
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