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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
Tomatidenol 3-lycotetraoside
1032.20
-1.5
13
22
337.86
11
11-Hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
348.40
2.3
3
5
94.83
2
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
190.24
2.8
0
2
26.3
1
(+)-Notoginsenoside H
949.10
-0.5
13
19
318.37
12
12-Oxo-2,3-dinor-10,15-phytodienoic acid
264.36
3.6
1
3
54.37
9
4-[2-hydroxy-9-[5-[(E)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
622.90
9.1
4
7
116.45
27
1,2-Anhydridoniveusin
376.40
1.2
2
7
102.29
4
zeta-Carotene epoxide
556.90
14.2
0
1
12.53
18
4'-O-Methylkanzonol W
350.40
4.1
1
5
68.9
2
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
544.50
0.9
9
13
234.67
7
4,8,12,15-Octadecatetraenoic acid
276.40
4.9
1
2
37.3
12
(+)-Soyacerebroside I
714.00
9.6
7
9
168.94
32
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne
188.29
3.5
0
1
25.3
2
4-[4,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
622.90
9.3
3
7
105.45
25
Quinquenoside L1
945.10
2.5
12
18
298.14
13
(Z)-S-Methyl 1-propenesulfinothioate
136.20
0.7
0
3
61.58
2
R-Propyl 1-propenesulfinothioate
164.30
1.6
0
3
61.58
4
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
724.70
5.8
6
14
222.65
11
CID 131751310
686.00
8.5
7
9
168.94
30
2-Hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]pentadecanimidic acid
700.00
9.1
7
9
168.94
31
Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]
813.20
14.6
3
7
105.45
24
Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside]
841.30
15.7
3
7
105.45
26
Isofucosterol 3-O-[6-O-(9-Octadecenoyl)-b-D-glucopyranoside]
839.30
14.8
3
7
105.45
25
[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-but-2-enoate
1015.20
3.3
11
19
304.21
16
Quinquenoside II
1233.50
3.2
14
24
383.36
23
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