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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
Oxyhydrastinine
205.21
1.2
0
3
38.77
0
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
338.40
2.9
1
4
41.57
2
Isosolanidine
397.60
6.1
1
2
23.47
0
alpha-Kosin
460.50
5.6
4
8
133.52
8
Xanthinin
306.40
1.4
0
5
69.67
5
5-Hydroxyindole
133.15
2
2
1
36.02
0
Baptifoline
260.33
0.6
1
3
45.47
0
4-[(3,3-Dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one
286.28
2.6
0
5
65.11
3
L-Saccharopine
276.29
-5.5
5
8
149.95
11
methyl (1S,4S,5R,9S,10S,12S,13S)-12-acetyloxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
374.50
4.8
0
4
52.6
4
(1S)-1,7-dihydroxy-1-methyl-4-propan-2-ylnaphthalen-2-one
232.27
1.8
2
3
57.53
1
(1R,2S,3S,4R,5S,6S,8S,12R,13R,16S,19R,20S,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-ol
449.60
1
1
7
69.62
4
Cannabidiolic acid
358.50
6.6
3
4
77.76
7
[(1S,2R,5R,6R,7R)-2-[2-(furan-3-yl)ethyl]-2-hydroxy-7-methyl-3-methylidene-8-oxo-9-oxatricyclo[5.3.3.01,6]tridecan-5-yl] acetate
388.50
2.4
1
6
85.97
5
(2S,3R,4R,5S,6R)-2-[2-hydroxy-4-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
302.28
-2.3
6
8
139.84
4
Pentadecanedioic acid
272.38
4.8
2
4
74.6
14
Ginnol
424.80
14
1
1
20.23
26
(1S,4E,6R,7R,16R,17R)-4-Ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
351.40
0.1
2
7
96.3
0
(2R,3R,4R,5S,6R)-2-[[17-(5-ethyl-6-methylheptan-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]-6-(hydroxymethyl)oxane-3,4,5-triol
576.80
7.7
4
6
99.38
9
(8E,22E)-4-hydroxy-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-dione
495.60
3
4
7
118.15
2
methyl (13E,14R,16S,18S)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
322.40
2.5
0
3
34.47
2
CID 16058156
242.36
2.6
1
2
24.92
0
(1R,4S,5R,9S,10S,13S,14S,16R)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-5-carboxylic acid
318.40
4.3
1
3
49.83
1
beta-Sitosterol 3-O-(6-O-oleoyl)-beta-D-glucopyranoside
841.30
15.2
3
7
105.45
26
(R-(E))-5-Isopropyl-8-methylnona-6,8-dien-2-one
194.31
3.7
0
1
17.07
6
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