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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,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
248.36
1.6
0
2
23.55
0
(R)-Eriodictyol-8-C-beta-D-glucopyranoside
450.40
-0.4
8
11
197.37
3
Myrrhone
228.29
3.6
0
2
30.21
0
3-O-acetyl-11-hydroxy-beta-boswellic acid
514.70
7.2
2
5
83.83
3
8-Hydroxy-3,5,6,7,3',4'-hexamethoxyflavone
418.40
2.9
1
9
105.82
7
Gentiournoside D
512.50
0.4
7
13
212.67
7
CID 134715245
897.10
1.3
10
17
274.75
9
l-Borneol 7-O-[|A-D-apiofuranosyl-(1 inverted exclamation marku6)]-|A-D-glucopyranoside
448.50
-0.9
6
10
158.3
6
CID 134715250
388.40
2.2
0
7
92.04
3
[(1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
659.80
1.2
2
12
142.45
12
Dihydroconiferyl dihydro-p-coumarate
330.40
2.9
2
5
75.99
7
Desoxycabufiline
734.90
4.8
0
10
84.02
7
Panarine
322.40
2.7
1
2
55.92
0
methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
352.40
1.5
2
4
65.56
3
methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
324.40
3.1
1
4
41.57
3
9-Deoxyforskolin
394.50
1.8
2
6
93.06
3
Androsta-1,4-diene-3,17-dione
284.40
3
0
2
34.14
0
Liliaxanthin
600.90
9.5
3
4
77.76
11
22-Dihydro-25-dehydrochondrillasterol
412.70
9
1
1
20.23
6
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
622.60
-0.5
7
15
227.2
8
Glc(a1-4)L-Glc(a1-4)L-Glc
504.40
-6.9
11
16
268.68
7
[6-[[6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
771.70
10
17
286.05
11
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
967.00
-2.8
14
23
374.13
13
(5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
398.40
2.2
1
8
100.52
3
2-(4-Hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
418.40
0.4
5
9
145.91
4
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