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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
Emblicanin B
780.50
1.3
12
22
382.08
0
Chalepin
314.40
3.9
1
4
59.67
3
6-(4-Hydroxy-2-methylenebutyryl)-D-glucopyranose
278.26
-2.4
5
8
136.68
6
(1E,5R,10S,11S,14S)-4-ethyl-10,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.02,5]tetradec-1-en-3-one
341.40
-1.6
3
6
99.46
3
methyl (1S,9S,14E,15S,16S,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
366.50
1.9
0
5
42.01
2
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate
644.90
7.6
3
8
130.36
19
Asparagoside D
903.10
1.2
10
18
276.14
9
[(1S,3aR,5aR,5bS,7aR,9S,11aS,11bR,13aS,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
468.80
10.4
0
2
26.3
3
Caryophyllenepoxid
220.35
3.6
0
1
12.53
0
5-(ethoxymethyl)-1H-pyrrole-2-carbaldehyde
153.18
0.6
1
2
42.09
4
2-Acetoxy-5-ethylfuran
154.16
1.9
0
3
39.44
3
(1S,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
246.35
1.7
0
2
23.55
0
Cynaropicrin
346.40
0.6
2
6
93.06
4
Hexane-2,3,3-trithiol
182.40
2.8
3
3
116.4
3
1'-Acetoxychavicol acetate
234.25
2.2
0
4
52.6
6
Schizandrin-C;Wuweizisu-C
384.40
5
0
6
55.38
2
(r)-Mandelic acid
152.15
0.6
2
3
57.53
2
(4aR,5R,6R,7S,8aR)-1-methyl-5,7-diphenyl-6-(2,3,4,5-tetrahydropyridin-6-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
386.60
4.8
0
2
15.6
3
Benzoylformic acid
150.13
1.3
1
3
54.37
2
Salvianic acid B
718.60
4
9
16
278.04
14
1,1-Diphenylethane
182.26
3.6
0
0
0
2
Hydrangenol
256.25
3.2
2
4
66.76
1
1,5-Di-o-phosphonopent-2-ulose
310.09
-4.8
6
11
210.67
8
2-(Hydroxymethyl)benzoic acid
152.15
1.2
2
3
57.53
2
Jaconine
387.90
0.6
2
7
96.3
1
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