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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
Veranisatin A
342.34
-1.4
3
8
122.52
2
Veranisatin B
356.32
-1.4
3
9
139.59
2
(Z)-1,5-Tridecadiene
180.33
5.8
0
0
0
9
(Z)-2-Heptenyl acetate
156.22
2.5
0
2
26.3
6
1,2,6-Tri-o-galloyl-beta-d-allose
636.50
0.4
11
18
310.66
10
galloyl(-2)[galloyl(-3)][galloyl(-6)]Gal(b)-O-galloyl
788.60
1.5
13
22
377.42
13
Delta 7-avenasterol
412.70
8.6
1
1
20.23
5
(3S,5S,9R,10S,13R,14R,17R)-17-((R,E)-5-Isopropylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
procyanidin B1 3-O-gallate
730.60
3.5
12
16
287.52
6
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3-gallate
730.60
3.5
12
16
287.52
6
(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-[4,8'-bichroman]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)
882.70
4.7
14
20
354.28
9
D-Gluconic acid, 6-ester with N,N-dimethylglycine
281.26
-5
5
9
147.76
9
cis-Cinnamoylcocaine
329.40
2.7
0
5
55.84
6
2-Bromotetradecane
277.28
7.6
0
0
0
11
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone, (-)-
128.13
0.4
1
3
46.53
0
1,3-Dimethyladamantane
164.29
4.6
0
0
0
0
Adenine deoxyribonucleoside
251.24
-0.5
3
7
119.31
2
Protosappanin A
272.25
2
3
5
86.99
0
Isoannonacin
596.90
8.1
3
7
113.29
26
2-Methyl-1-nitrobutane
117.15
1.7
0
2
43.14
2
1-Hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
212.20
-1.1
3
5
86.99
2
2-[4,5-Dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1031.20
-1
11
21
314.83
9
delta-Decalactone
170.25
2.5
0
2
26.3
4
CID 12810388
468.50
-6.4
10
14
248.39
6
Unii-4W8R3urs2H
468.50
-6.4
10
14
248.39
6
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