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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)-2-amino-3-ethylsulfinylpropanoic acid
165.21
-4
2
5
99.6
4
4-Butylquinoline
185.26
4.1
0
1
12.89
3
8-Hydroxy-7-methoxycoumarin
192.17
1.5
1
4
59.67
1
5,9,14-Trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
302.50
5.4
1
2
37.3
1
13-Methylpentadecanoic acid
256.42
6.1
1
2
37.3
13
Quinoline, 3-propyl-
171.24
3.5
0
1
12.89
2
(2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
420.50
3.1
2
7
86.61
12
2-Hydroxy-6-(12-phenyldodecyl)benzoic acid
382.50
9.3
2
3
57.53
14
3-(12-Phenyldodecyl)phenol
338.50
9.2
1
1
20.23
13
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(E)-hex-2-enoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
424.40
-1.8
7
11
178.53
9
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-hexoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
426.50
-1.9
7
11
178.53
10
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-hexoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
426.50
-1.3
7
11
178.53
10
Lobetyolin
396.40
-0.6
6
8
139.84
9
(3S)-5-[(E)-3-[2-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl]-3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
1033.00
-2.2
13
26
398.66
24
Oroxylin A-7-o-beta-D-glucuronide
460.40
1.4
5
11
176.12
5
Oroxylin A glucoronide
460.40
1.4
5
11
176.12
5
Cyanidin 3-(6-caffeoylglucoside) 5-glucoside
773.70
12
18
317.28
11
10-Hydroxysanguinarine
348.30
4.1
1
5
61.03
0
(1S,2S,4S,6R,7S,8R,9S,12S)-5',7,9,17-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-13,15,17-triene-6,2'-oxane]
394.60
6.9
0
2
18.46
0
Arnicolide B
348.40
2.4
0
5
69.67
4
Arnicolide C
334.40
2.1
0
5
69.67
3
Dehydro-Gamma-Tocopherol
414.70
10.3
1
2
29.46
12
(1S,2R,5R,6R,9R)-2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol
222.37
3.9
1
1
20.23
0
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10,11-trihydroxy-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
666.80
2.7
8
11
197.37
5
arjunglucoside I
666.80
2.7
8
11
197.37
5
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