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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
3,4-Methylenesebacic acid
226.27
3
2
4
74.6
9
(8E,22E)-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.1(3,7)]nonacosa-1(26),3(29),4,6,8,22,24,27-octaen-4-yl hydrogen sulfate
515.60
0.2
4
8
151.44
2
Narcissoside, >=95% (HPLC)
624.50
-1
9
16
258.43
7
Genkwadaphnin
602.60
2.7
3
10
144.28
6
Skullcapflavone II
374.30
2.9
2
8
107.59
5
Sericic acid
504.70
4.5
5
6
118.22
2
Mollugin
284.31
4.1
1
4
55.76
2
6-(4-Hydroxy-5-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)-7-methoxychromen-2-one
290.27
0.8
1
6
81.43
2
3-[4-beta-D-Glucopyranosyloxy-5-methoxy-3-[2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl]phenyl]
522.50
0.4
7
11
178.53
11
CID 124222265
454.40
-0.7
6
11
179.28
5
beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-
652.60
0.1
7
15
223.29
13
Butanedioic acid, (1,3-benzodioxol-5-ylmethyl)(1,3-benzodioxol-5-ylmethylene)-, dimethyl ester, (E)-
412.40
3.6
0
8
89.52
8
CID 124222284
332.40
3.9
0
4
52.6
6
10-Hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
332.40
2.8
2
4
74.6
1
2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, [2S-(2alpha,3E,4beta)]-; (2S,3E,4S)-5-Carboxy-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-acetic acid
390.34
-2.3
6
11
183.21
6
Clerodeside A
736.70
1.3
5
17
235.43
17
1,4a-dimethyl-6-methylidene-5-[(1E)-3-oxobut-1-en-1-yl]-hexahydro-2H-naphthalene-1-carboxylic acid
290.40
3.5
1
3
54.37
3
8-(6-Methoxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
470.70
6.7
1
3
38.69
5
8-(5-hydroxy-3-methylpent-3-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
304.50
4.6
1
2
37.3
4
7-Hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]chromen-4-one
548.50
-2.1
8
13
219.74
5
CID 124222341
594.50
-1.2
8
15
238.2
7
Erythrodiol 3-palmitate
681.10
15.5
1
3
46.53
17
Mesylmethyl(benzyl)sulfone
248.30
0.6
0
4
85.04
4
Eriodictyol 7-glucuronide
464.40
0.5
7
12
203.44
4
Tanshinaldehyde
310.30
2.3
0
4
60.44
1
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