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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
Octacosyl docosanoate
733.30
24.9
0
2
26.3
48
Benzyl palmitate
346.50
8.9
0
2
26.3
17
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one
352.30
4
3
6
100.13
2
(1S,3R,12R,14R,16S,17R,19R)-19-hydroxy-4,4,16-trimethyl-14,17-bis(3-methylbut-2-enyl)hexacyclo[10.6.1.11,14.03,12.05,10.016,19]icosa-5,7,9-triene-11,13,20-trione
500.70
6.5
1
4
71.44
4
3-Buten-2-one, 4-[(2R,4S)-4-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-
518.60
-3.4
7
12
195.6
7
Calenduloside F
795.00
4.3
8
14
232.9
7
3-Oxobutyl acetate
130.14
-0.2
0
3
43.37
4
10-(3,4-Dimethoxyphenyl)-6-hydroxyfuro[3',4':6,7]naphtho[1,2-d]-1,3-dioxol-9(7h)-one
380.30
3.6
1
7
83.45
3
2-[3,4-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one
370.40
3.5
5
7
131.36
3
3-Ethylcyclopentanone
112.17
1.4
0
1
17.07
1
(2R)-2-azaniumyl-4-hydroxy-4-oxobutanoate
133.10
-3.2
2
4
105.07
2
2-hydroxy-4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
183.20
-0.7
3
3
80.13
3
Agehoustin C
448.40
2.6
1
10
115.05
8
Agehoustin D
434.40
2.8
2
10
126.05
7
12,14-Hentriacontanedione
464.80
13.4
0
2
34.14
28
Isorhamnetin 3-neohesperidoside
624.50
-0.4
9
16
258.43
7
Ageratochromene dimer
440.50
4.7
0
6
55.38
5
4-Butyl-2,6-dimethoxyphenol
210.27
3.4
1
3
38.69
5
3-O-methylellagic acid
316.22
1.4
3
8
130.34
1
5-Hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
594.50
-1.9
9
15
249.2
7
Kaempferol-3-O-glucorhamnoside
594.50
-0.4
9
15
249.2
6
1,2-Dihydro-1,3,8-trihydroxy-2-methylanthraquinone
272.25
0.8
3
5
94.83
0
[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
665.10
17.1
0
2
26.3
16
EC-Amyrin palmitate
665.10
17.1
0
2
26.3
16
beta-Amyrin palmitate
665.10
17.1
0
2
26.3
16
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