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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
2-Ethenylphenol
120.15
2.3
1
1
20.23
1
garcinianone B
464.50
6.8
3
6
107.97
7
Acid orange 7
350.30
1
6
110.53
3
2,6-Diamino-5-(beta-D-glucopyranosyloxy)-4(1H)-pyrimidinone
304.26
-3.7
7
9
197.17
3
Neotheaflavin 3-gallate
716.60
3.5
11
16
284.36
5
2,3,5,7-Tetrahydroxy-1,4-naphthalenedione
222.15
1
4
6
115.06
0
Betanidin
388.30
0.6
5
10
167.96
5
10-Formyltetrahydropteroylglutamic acid
473.40
-1.2
7
10
219.84
9
3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid
428.30
1.9
7
10
184.98
2
Norrubrofusarin
258.23
0.4
3
5
90.9
0
Cascarin
416.40
1.4
5
9
153.75
2
Ismailin
536.50
4.7
3
9
155.25
2
Ancistrocladeine
403.50
5.7
1
5
60.81
4
Luotonin F
301.30
2.5
1
4
75.71
2
[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
716.60
3.5
11
16
284.36
5
Methyl 3-methyl-2-butenoate
114.14
1.6
0
2
26.3
2
Guanosine-2'-monophosphate
363.22
-3
6
10
215.85
4
6-benzylamino-3-beta-D-glucopyranosylpurine
387.40
-0.7
5
7
149.01
4
Fosdenopterin
363.22
-4
7
11
211.09
0
Thelephoric acid
352.20
2.9
4
8
141.34
0
Benzo[h]quinazolin-4(1H)-one
196.20
2
1
2
45.75
0
(10S)-Hydroxypheophytin a
887.20
11
3
10
142.17
22
Succinimide, monooxime
114.10
-0.8
2
3
61.69
0
garcinianone A
464.50
6.8
3
6
107.97
7
(10S)-Hydroxypheophorbide a
608.70
2
4
10
153.17
7
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