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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
methyl 3-(7-chloro-4-hydroxy-2-oxo-2H-pyrido[1,2-a]pyrimidin-3-yl)-3-cyclohexylpropanoate
364.80
2.9
1
5
80.9
5
(2E,7E)-9-oxodeca-2,5,7-trienoate
178.18
1.9
0
3
57.2
4
2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one
189.21
0.4
1
3
58.64
0
4-Chloro-1-butanol
108.57
0.8
1
1
20.23
3
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
252.23
-1.2
3
6
113.26
2
2(5H)-Furanone, 5-(hydroxymethylene)-
112.08
0.8
1
3
50.44
1
2,3-Dihydroxyphenazine-1-carboxylic acid
256.21
2
3
6
103.54
1
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
161.16
0
1
3
58.64
0
5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
716.60
3.5
11
16
284.36
5
N-hydroxyl-tryptamine
176.21
1.6
3
2
48.05
3
6-Methylheptan-2-one
128.21
2.2
0
1
17.07
4
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-
236.22
2.3
1
3
54.6
0
2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
441.40
0.4
5
10
217.55
7
Furo(2,3-b)quinolin-7-ol, 4-methoxy-8-(3-methyl-2-butenyl)-
283.32
4.5
1
4
55.49
3
methyl (17S,18S,20E)-12-ethenyl-7-ethyl-20-(1-hydroxy-2-methoxy-2-oxoethylidene)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-18,23-dihydro-17H-porphyrin-2-carboxylate
652.70
4
2
10
152
10
Purpurin 7 dimethyl ester
638.70
3.7
3
10
163
9
3-Decanone
156.26
3.6
0
1
17.07
7
4H-3,1-Benzoxazin-4-one, 2-(4-(4-hydroxyphenyl)-1,3-butadienyl)-
291.30
3.6
1
4
63.33
3
Dehydroluciferin
278.30
2.6
2
7
139.79
2
2-amino-9-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
283.24
-1.9
5
7
159.51
2
(Z)-2-Hexen-1-ol
100.16
1.4
1
1
20.23
3
Phaeophorbide b
606.70
2
3
10
150.01
7
Herbacetin 7-rhamnoside
448.40
0.9
7
11
190.28
3
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
448.40
0.9
7
11
190.28
3
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
434.30
0.4
7
11
190.28
3
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