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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
Carboxymethyl isoferulate
252.22
1.4
2
6
93.06
6
Methyl trans-1-propenethiosulfinate
136.20
3.4
0
3
60.53
2
Allyl trans-1-propenethiosulfinate
162.30
4
0
3
60.53
4
4-Aminobenzenesulfonimidic acid
172.21
0.7
3
4
95.55
1
6-(o-Hydroxybenzylamino)-2-methylthio-9-beta-d-glucofuranosylpurine
449.50
0.1
6
11
191.31
7
Nonacos-1-en-4-one
420.80
13.4
0
1
17.07
26
2-Methyl-3-glucosyloxy-5-isopropyl phenol
328.36
0.7
5
7
119.61
4
Amino-hydroxy-heptynoic acid
157.17
-2.5
3
4
83.55
3
Trihydroxy-methoxy-flavonol
316.26
1.9
4
7
120.36
2
Conessine dihydrate
392.60
2
4
69.48
1
Trigalactosylglycerol
578.50
-7.6
15
18
331.14
8
(2s)-5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone
346.30
2.7
2
7
94.45
4
2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-4',5'-methylenedioxychalcone
404.40
3.2
2
9
112.91
7
4,7-Methanoazulene
140.18
2.9
0
0
0
0
beta-Farnesol
220.35
5.5
1
1
20.23
7
5beta-Cholest-7en-3beta-ol
386.70
8.3
1
1
20.23
5
Propindilactone m
528.60
1.7
1
9
117.59
1
1,6-Dihydroxy-2,5,7-trimethoxyphenanthrene
300.30
3.6
2
5
68.15
3
2-O-[(3r,8r)-3-(acetyloxy)-8-hydroxy-eicosanoyl]-glycerol
460.60
5.6
3
7
113.29
24
2-O-[(3r,7r)-3-(acetyloxy)-7-hydroxy-octadecanoyl]-glycerol
432.60
4.7
3
7
113.29
22
5-((2r,3s)-4-(4-Hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl)-3-methoxybenzene-1,2-diol
332.40
4.1
3
5
79.15
6
Stigmastanol cis-ferulate
592.90
12.7
1
4
55.76
12
[(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
592.90
12.7
1
4
55.76
12
Deca-2z-en-6,8-diynoic acid phenethylamide
265.30
3.7
1
1
29.1
7
2,2',5,5'-Tetrahydroxy-3-methoxybibenzyl
276.28
2.7
4
5
90.15
4
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