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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
Dehydroabietinol
286.50
5.7
1
1
20.23
2
5'alpha(S)-sec-Butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
575.70
2.7
3
6
118.21
5
Plantarenaloside
360.36
-1.3
5
9
145.91
4
Methyl 12-[1-(3,4,5-trimethoxybenzoyl)oxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
548.60
4.5
1
9
95.56
9
Soyasaponin A2
1107.20
-0.8
15
24
394.36
12
3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)-3-[(2-methylphenyl)methyl]oxan-2-yl]oxyphenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
540.60
3
7
10
177.14
9
5-Hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4,5-trihydroxy-6-(1,2,3,4-tetrahydroxypentyl)oxan-2-yl]oxychromen-4-one
714.60
-2.5
13
19
330.12
10
4-Hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
236.35
3.4
1
2
37.3
4
Methyl 6-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate
404.40
-3.3
6
11
175.37
6
16-Methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
342.40
5.7
1
4
63.6
9
(8S)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.03,8]pentadeca-1(11),2,4,12,14-pentaen-6-one
268.30
3.8
1
2
37.3
0
Phenol, 3-tridecyl-
276.50
8.4
1
1
20.23
12
Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
365.30
3.4
1
6
77.46
2
(E)-3-(4-Hydroxyphenyl)propenoic acid (2S)-3-(beta-D-glucopyranosyloxy)-2-hydroxypropyl ester
400.40
-1.1
6
10
166.14
9
(1-Methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate
366.40
3.3
0
6
71.06
4
(3R,4aS,8aR)-3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
222.32
3.5
1
2
37.3
1
3-sec-Butyl-2-methoxy-5-methylpyrazine
180.25
2
0
3
35.01
3
3-Isopropyl-2-methoxy-5-methylpyrazine
166.22
1.6
0
3
35.01
2
2-Methyl-2-bornene
150.26
3.5
0
0
0
0
Lambertianin C
2749.90
6.5
43
76
1276.4
13
2-Carbamimidoyl-1,1-dimethylguanidine
129.16
-1.3
3
1
91.49
2
2,3-Dimethylquinoline
157.21
3
0
1
12.89
0
UDP-D-galacturonate
580.28
-6.4
9
18
333.68
9
2-(1-propoxyindol-3-yl)-N-pyrimidin-4-yl-acetamide
310.35
2.7
1
4
69.04
6
N-(2-chlorophenyl)-2-[1-(2-phenylethoxy)indol-3-yl]acetamide
404.90
5.8
1
2
43.26
7
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