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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
1-(3,4-Dihydroxy-5-methoxyphenyl)dec-4-en-3-one
292.40
4
2
4
66.76
9
1-Hexadecene
224.42
8.9
0
0
0
13
2-(2,5-Dihydroxy-3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
390.30
2.6
3
9
127.82
5
1-Hexadecyne
222.41
7.8
0
0
0
12
Plumeridoid C
310.30
0.6
2
7
102.29
3
1-Pentadecanol
228.41
6.8
1
1
20.23
13
(3,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) propanoate
229.27
-0.2
2
5
70
3
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-(3-methoxyphenyl)propanoate
319.40
1.8
1
5
59
6
Heptadecane
240.50
8.8
0
0
0
14
6-(4-Acetoxy-3-methyl-2-butenyl)-7-hydroxycoumarin
288.29
2.8
1
5
76.74
5
(3,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) 2-methylbutanoate
257.33
0.8
2
5
70
4
Dioctyl ether
242.44
6.9
0
1
9.23
14
Dehydroalanine
87.08
-0.1
2
3
63.32
1
Methyl triacontanoate
466.80
15.5
0
2
26.3
29
Nonadecane
268.50
9.9
0
0
0
16
3,3'-Digalloylprocyanidin B2
882.70
4.7
14
20
354.28
9
Procyanidin B5
578.50
2.4
10
12
220.76
3
1-Iodooctadecane
380.40
10.7
0
0
0
16
Ipsenone
152.23
3
0
1
17.07
5
beta-Glucogallin
332.26
-1.4
7
10
177.14
4
[(5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
636.50
0.1
11
18
310.66
11
Procyanidin A2
576.50
2.4
9
12
209.76
2
Phorbol acetate, caprate
560.70
4.4
3
8
130.36
13
Heneicosane
296.60
11
0
0
0
18
2-(4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)prop-2-enoic acid
234.33
3.8
1
2
37.3
2
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