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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
(3S)-7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
391.50
4.5
2
5
71.28
3
Phaeophytin A
871.20
11.7
2
9
121.94
22
1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-6-ol
473.60
4.8
2
5
70.08
5
Ethyl 3,5-dimethoxy-4-hydroxycinnamate
252.26
2.2
1
5
64.99
6
Glycosminine
236.27
2.3
1
2
45.75
2
7-Hydroxyquinoline
145.16
2
1
2
33.12
0
(E)-3-(3-carbamimidoyl-4-hydroxyphenyl)prop-2-enoic acid
206.20
1
4
4
107.4
3
Bis(4-hydroxyphenyl)methanol
216.23
2
3
3
60.69
2
2-[[4-(3-Amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioate
455.40
0.8
4
10
199.64
5
Isaindigotone
350.40
2.6
1
5
73.58
3
1-Methyl-3-nitro-1-nitrosoguanidine
147.09
0.1
2
5
111.69
2
Pegamine
204.22
0.3
2
3
65.98
3
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
203.24
1.3
2
2
70.35
2
Dopaxanthin
390.30
0.8
6
10
176.75
7
Humilixanthin
326.30
-0.4
5
9
156.52
8
Miraxanthin-I
358.37
-0.9
4
10
172.57
8
Miraxanthin-II
326.26
-0.9
5
10
173.59
7
Miraxanthin-III
330.33
1.4
4
7
119.22
6
Portulacaxanthin II
374.30
1.2
5
9
156.52
7
Portulacaxanthin III
268.22
-0.4
4
8
136.29
5
Gentianaine
141.12
-0.2
2
4
70.38
1
3,4,5-trihydroxy-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one
564.50
2.4
9
12
217.6
2
3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
632.60
-2.4
8
15
242.11
6
Iodinin
244.20
1
2
4
94.34
0
2-Hydroxyphenazine
196.20
2.5
1
3
46.01
0
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