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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
sanggenon A
436.50
4.6
3
7
105.45
2
Ligustrazine hydrochloride
172.65
1
2
25.78
0
[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
936.70
1.9
17
24
428.11
9
Isoferreirin
302.28
2.5
3
6
96.22
2
6-(2-Hydroxyethyl)-2,5,7-trimethylinden-1-one
216.27
2.6
1
2
37.3
2
Gymnemic acid X
724.90
2.1
8
13
223.67
7
Gymnemic acid xi
847.00
5.1
7
14
229.74
11
N-Desmethylthalrugosidine
624.70
5.8
2
9
90.88
4
Thalpindione
652.70
5.8
1
9
99.16
4
Uvidin A
252.35
2.5
1
3
49.83
1
Isolaxifolin
404.50
5.9
2
5
79.9
3
Laxifolin
404.50
5.9
2
5
79.9
3
Cyclokievitone
354.40
3.5
3
6
96.22
1
Uplandicine
357.40
-1.3
3
8
116.53
8
Cabreuva oxide B
220.35
3.2
0
1
9.23
1
(4R,4aS,6R,8aR)-4,4a-dimethyl-6-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
222.37
4.3
0
1
17.07
1
Graecunin E
1047.20
-1.3
12
22
335.06
11
Graecunin G
885.00
0.8
9
17
255.91
8
Barbigerone
394.40
4
0
6
67.13
4
Spiro(7H-indeno(4,5-d)-1,3-dioxole-7,1'(2'H)-isoquinolin)-8(6H)-one,7'-(beta-D-glucopyranosyloxy)-3',4'-dihydro-6'-methoxy-2'-methyl-, (2'S)-
515.50
1
4
11
147.38
4
alpha-L-Mannopyranoside, 3,4-dihydro-4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-
630.50
-2.7
12
17
288.91
6
Epitaondiol
412.60
6.7
2
3
49.69
0
10-Hydroxycoronaridine
354.40
3.2
2
4
65.56
3
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nona-1,3-dienyl-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] acetate
586.70
3.2
3
10
144.28
10
Dehydrostephanine
307.30
4.4
0
4
30.93
1
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