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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
9H-Xanthen-9-one, 2-hydroxy-5-methoxy-
242.23
2.6
1
4
59.67
1
Undecyl acetate
214.34
5
0
2
26.3
11
(6S,6aS,9aS,9bR)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
278.30
0.1
2
5
83.83
1
Ephedradine B
522.60
1.4
4
7
112.16
2
Lucidine B
467.70
5
0
3
35.91
2
18-Norabieta-8,11,13-trien-4-ol
272.40
4.9
1
1
20.23
1
Methyl nonanoate
172.26
4.1
0
2
26.3
8
Methyl undecanoate
200.32
5.2
0
2
26.3
10
9,12-Octadecadienoic acid (9Z,12Z)-, 1,1'-[2-[(1-oxohexadecyl)oxy]-1,3-propanediyl] ester
855.40
20.9
0
6
78.9
50
9,12-Octadecadienoic acid, 1,1'-[2-[(1-oxooctadecyl)oxy]-1,3-propanediyl] ester
883.40
22
0
6
78.9
52
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] octadecanoate
887.40
23.6
0
6
78.9
54
Leiocarposide
614.50
-0.9
9
16
254.52
11
(2S,4R)-4-acetamidopiperidine-2-carboxylic acid
186.21
-3
3
4
78.43
2
5-Pentylcyclohexa-1,3-diene
150.26
4.7
0
0
0
4
Telocinobufatoxin
714.90
2.8
6
10
227.77
16
20-Hydroxyecdysone 22-acetate
522.70
1
5
8
144.52
7
Phenylalanyl-Lysine
293.36
-2.7
4
5
118.44
9
(E)-Avenanthramide D
283.28
3.6
3
4
86.63
4
Methyl tridecanoate
228.37
6.3
0
2
26.3
12
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate
731.10
12.4
4
10
151.98
37
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
941.10
2.1
10
18
291.82
9
Soyasaponin V
959.10
1.9
12
19
315.21
10
2-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-3-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
370.40
3.2
1
7
87.36
3
Sirodesmin PL
486.60
-0.6
2
10
184.28
3
SchisandrinB
416.50
3.9
1
7
75.61
4
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