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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
Pentacosyl benzoate
472.80
14.9
0
2
26.3
26
Octacosyl benzoate
514.90
16.5
0
2
26.3
29
Heptacosyl benzoate
500.80
16
0
2
26.3
28
1,2-Dimethyl-1,4-cyclohexadiene
108.18
2
0
0
0
0
N-[2-(4-hydroxyphenyl)ethyl]triacontanamide
572.00
16.1
2
2
49.33
31
(2S,3R,4R,5R,6S)-2-butoxy-6-methyloxane-3,4,5-triol
220.26
-0.3
3
5
79.15
4
Gossypetin 8,3',4'-trimethyl ether
360.30
2.8
3
8
118.59
4
Gossypetin 8,4'-dimethyl ether
346.30
2.5
4
8
129.59
3
(5S)-5-hydroxynonanoic acid
174.24
1.6
2
3
57.53
7
TG(18:1(11Z)/18:1(11Z)/18:1(11Z))
885.40
22.4
0
6
78.9
53
cis-7-Hexadecenoic Acid methyl ester
268.40
6.5
0
2
26.3
14
3-Isopentadienyl-3',4,5'-trihydroxystilbene
294.30
5.2
3
3
60.69
4
Bayogenin 3-O-beta-D-glucopyranoside
650.80
3.7
7
10
177.14
5
10-Phenyldecanoic acid
248.36
5.2
1
2
37.3
10
5,7,3',4'-Tetrahydroxy-6-c-methyl-dihydroflavonol
318.28
1.8
5
7
127.45
1
3,6-Bis(2H-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-ol
370.40
2.2
1
7
75.61
2
luteolin-7-O-gentiobiside
610.50
-1.6
10
16
269.43
7
luteolin-7-O-rutinoside
610.50
-1.6
10
16
269.43
7
luteolin-7-O-gentiobioside
610.50
-1.6
10
16
269.43
7
myo-Inositol 1,4,5,6-Tetrakis(phosphate)
500.08
-8.1
10
18
346.74
8
Methyl dioxindole-3-acetate
221.21
0.4
2
4
75.63
3
2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate
299.16
3.6
0
3
43.37
6
p-Bromophenacyl 2r-methyl-3r-hydroxybutyrate
315.16
2.5
1
4
63.6
6
Olivil 4'-O-beta-D-glucopyranoside, >=95% (LC/MS-ELSD)
538.50
0.1
7
12
187.76
9
2-[4-[[3-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
0.1
7
12
187.76
9
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