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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
(2R,3S)-2-(3,4-dihydroxyphenyl)-5-methyl-3,4-dihydro-2H-chromene-3,7-diol
288.29
1.1
4
5
90.15
1
1,2,4-Trithiane
138.30
1.4
0
3
75.9
0
Cryptoxanthin epoxide
568.90
11.7
1
2
32.76
10
5,6:5',8'-Diepoxy-5,6,5',8'-tetrahydro-beta,beta-carotene-3,3'-diol
600.90
9.4
2
4
62.22
9
4-(Butoxymethyl)phenol
180.24
2.5
1
2
29.46
5
3-Methyl-2-cyclopentene-1-thione
112.19
1.1
0
1
32.09
0
Bis-gamma-glutamylcystine
498.50
-7.8
8
14
310.04
17
g-Glu-Ile
260.29
-3.5
4
6
129.72
8
2-Decanol
158.28
4
1
1
20.23
7
4-Hydroxy-3-nitrobenzyl alcohol
169.13
1.1
2
4
83.6
1
Dodecanamide
199.33
3.5
1
1
43.09
10
Undecane
156.31
5.6
0
0
0
8
9-hexadecenoic acid, methyl ester, (9Z)-
268.40
6.5
0
2
26.3
14
Mikimopine
283.24
-3.6
5
8
152.61
5
11-Methyl-6-methylidene-16-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
494.50
-0.4
5
10
162.98
4
Gymnemic acid XIII
767.00
3.5
8
13
223.67
9
Gymnemic acid xiv
764.90
3.3
8
13
223.67
8
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4Ar,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
682.80
2.1
9
12
217.6
5
4,10-Epoxy-11-spirovetiven-2-one
234.33
2.5
0
2
26.3
1
(2R,5S,6S,10R)-6-(Hydroxymethyl)-10-methyl-2-(1-methylethenyl)spiro[4.5]decan-8-one
236.35
3.1
1
2
37.3
2
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
370.40
4.3
3
6
96.22
4
Methyl arachidate
326.60
10.1
0
2
26.3
19
9,16-Dihydroxyhexadecanoic acid
288.42
3.6
3
4
77.76
15
10,20-Dihydroxyeicosanoic acid
344.50
5.8
3
4
77.76
19
7-Hydroxyhexadecanedioic acid
302.41
3.5
3
5
94.83
15
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