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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
(1R,8R,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yltetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
344.40
3.5
3
4
77.76
1
(10R)-5,10-dihydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
370.40
2.7
2
6
85.22
2
(2R)-2-amino-5-[[hydroxy(sulfamoyloxy)phosphoryl]amino]pentanoic acid
291.22
-5.3
5
10
200.23
8
11-Dodecenoic acid
198.30
4.4
1
2
37.3
10
Phytolaccoside E
827.00
0.8
9
16
262.36
9
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
313.30
2.1
3
4
78.79
6
Phytane
282.50
9.9
0
0
0
13
Perforatic acid
302.28
2.2
1
6
85.97
2
Succinaldehyde
86.09
-0.9
0
2
34.14
3
5-[5-(Furan-3-yl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
316.30
3.2
0
5
65.74
7
methyl (4aS,6aS,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
486.70
7.1
2
4
66.76
3
(2S)-hexadecan-2-ol
242.44
7.2
1
1
20.23
13
alpha-Campholenal
152.23
1.9
0
1
17.07
2
Pentyl formate
116.16
1.9
0
2
26.3
5
5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone
312.30
3.6
2
5
79.9
4
Selagine
242.32
0
2
2
58.88
0
Tridecanoic acid
214.34
4.7
1
2
37.3
11
Cyrtominetin
316.30
2.8
4
6
107.22
1
Tetradecyl acetate
256.42
6.7
0
2
26.3
14
Radermachol
368.40
5.4
1
4
67.51
1
Stearonitrile
265.50
8
0
1
23.79
15
Myricetin 7,3',4'-trimethyl ether
360.30
2.2
3
8
118.59
4
Octadecanal
268.50
8.1
0
1
17.07
16
Tricosane
324.60
12.1
0
0
0
20
Triacontane
422.80
15.8
0
0
0
27
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