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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
2-Hydroxy-3-oxopropanoic acid;3-hydroxy-2-oxopropanoic acid
208.12
4
8
149.2
4
Methyl tetradecenoate
240.38
6.2
0
2
26.3
12
Gentiside J
462.70
14
2
4
66.76
23
Gentiside E
406.60
11.9
2
4
66.76
19
Cyclopentyl isothiocyanate
127.21
2.8
0
2
44.45
1
5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
562.60
-0.1
5
10
166.89
4
Norwogonin-8-O-glucuronide
446.40
1.1
6
11
187.12
4
[(2S,3R,4S,5S,6R)-2-[2-(5,7-dihydroxy-8-methoxy-4-oxochromen-2-yl)-3-hydroxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
640.50
2.4
8
15
246.04
9
5,7-Dihydroxy-8,2',6'-trimethoxyflavone
344.30
2.9
2
7
98.36
4
Gerbsaure
636.50
0.4
11
18
310.66
10
2-(7-Methoxy-2-oxochromen-8-yl)acetaldehyde
218.20
1.3
0
4
56.51
3
5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
412.60
5.6
0
3
35.53
0
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
626.50
-1.2
11
17
289.66
7
quercetin 3-O-beta-D-glucosylgalactoside
626.50
-1.2
11
17
289.66
7
Kaempferol-3-O-glucuronoside
462.40
1
7
12
207.35
4
3-(3,4-dimethoxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
506.50
1.1
5
12
177.51
7
Dalspinosin
344.30
2.9
2
7
98.36
4
7-Methoxy-8-(3-methylbut-3-enoyl)chromen-2-one
258.27
2.9
0
4
56.51
4
Campestanol acetate
444.70
10.2
0
2
26.3
7
Acetylsoyasaponin A1
1437.50
-0.7
14
33
497.79
23
Acetylsoyasaponin A2
1275.40
0.9
11
28
418.64
20
Acetylsoyasaponin A3
1245.40
1
10
27
398.41
19
Soyasaponin Aa
1365.50
-0.6
14
31
471.49
20
Acetylsoyasaponin A5
1203.30
1
11
26
392.34
17
Acetylsoyasaponin A6
1173.30
1
10
25
372.11
16
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