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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
[(2S,3S,4S,5S,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1110.00
13
25
400.73
20
(E)-3,7-Dimethyl-2,6-octadienyl 2-methylisocrotonate
236.35
4.7
0
2
26.3
7
4-Allyl-2-methoxyphenyl 2-methylbutyrate
248.32
4.1
0
3
35.53
7
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
290.79
2.8
0
4
32.26
6
(6aS,11aR)-1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
368.40
4.5
1
5
57.15
4
Pentaacetyl geniposide
598.50
0
0
15
185.49
16
Medicagenic acid 3-O-beta-D-glucopyranoside
664.80
3.6
7
11
194.21
5
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate
407.50
-0.9
5
12
225.09
9
Escin
1131.30
0.7
13
24
388.04
16
Esculin hydrate
358.30
6
10
181.32
3
Cellulose
342.30
-4.7
8
11
189.53
4
2',5-Digalloylhamamelofuranose
484.40
-1.1
9
14
243.9
8
Tetracosanoic acid tryptamide
510.80
12.9
1
1
34.03
25
Aromadendrene oxide 2
220.35
3.7
0
1
12.53
0
Cannabielsoin
330.50
5.4
2
3
49.69
5
Apigenin-7-(2-O-apiosylglucoside)
564.50
-0.4
8
14
228.97
7
Ginkgolide C, analytical standard
440.40
-1.4
4
11
169.05
1
(1S,3R)-cis-4-Carene
136.23
3.3
0
0
0
0
(-)-Car-4-ene
136.23
3.3
0
0
0
0
N-[2-(1H-Indol-1-yl)ethyl]icosanamide
454.70
10.7
1
1
34.03
21
Phthalic Acid-d4
170.15
0.7
2
4
74.6
2
Quercetin hydrate
320.25
6
8
162.86
1
methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
390.40
-1.4
5
10
155.14
5
methyl (1S,9S,16S,18R,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraene-18-carboxylate
336.40
2.8
1
4
41.57
2
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
959.10
0.1
12
19
315.21
10
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