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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
5-Amino-2-azaniumylpentanoate
132.16
-3.8
2
3
93.79
3
CID 134898449
67.11
2.4
0
0
0
1
Akuammine
382.50
1.5
1
6
62.24
2
2,2-Dimethylcyclohexane-1-carbaldehyde
140.22
2.6
0
1
17.07
1
6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid
292.30
4.1
1
4
63.08
3
(3S)-3,6-dimethyl-2,3-dihydro-1-benzofuran
148.20
2.6
0
1
9.23
0
(S)-Mevalonic acid
148.16
-1
3
4
77.76
4
(3R,4R)-3,7-dimethylocta-1,6-diene-3,4-diol
170.25
1.8
2
2
40.46
4
(1S,3R)-1,5-diphenylpentane-1,3-diol
256.34
3.1
2
2
40.46
6
4-[(1S,2S)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2,6-dimethoxyphenol
374.40
3.7
2
6
77.38
8
2,3,5-Trihydroxybenzoic acid
170.12
0.8
4
5
97.99
1
Pterosin Z
232.32
2.9
1
2
37.3
2
Pterosin F
236.73
3.8
0
1
17.07
2
4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone
312.40
4.2
1
3
54.37
3
(5R,8R)-3-hydroxy-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
232.32
4.4
1
2
37.3
2
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
274.27
2.7
4
5
90.15
3
(Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene
274.27
2.7
4
5
90.15
3
4-Hydroxybenzoic acid
138.12
1.6
2
3
57.53
1
Icosa-2,4,6,8,10-pentaenoic acid
302.50
7.4
1
2
37.3
13
Eranthin
274.27
1.4
2
5
79.9
1
Pterosin A
248.32
2.2
2
3
57.53
3
(6S,9S,10S)-9-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
333.69
4
0
1
17.07
0
1-Oxacyclotridec-11-en-2-one
196.29
3.8
0
2
26.3
0
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
813.20
14.3
3
7
105.45
24
(2R,3'S,3aR,5R,5'S,6aR)-3'-bromo-5'-[(1R)-1-bromopropyl]-2-[(1S)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
487.00
3.9
0
3
27.69
3
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