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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
Gossypetin 3,7,3'-trimethyl ether
360.30
2.8
3
8
118.59
4
3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
448.40
2.8
1
10
115.05
8
6-(4-Hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-methoxypyran-2-one
410.40
0
5
10
159.05
5
7-[3,5-Dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
610.50
-0.7
10
16
269.43
6
7-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
0.3
6
12
188.51
6
Tricin 7-O-glucoside
492.40
0.8
6
12
188.51
6
Glucotricin
492.40
0.8
6
12
188.51
6
Selina-4(15),7(11)-dien-8-one
218.33
3.8
0
1
17.07
0
Zeanoside C
385.32
-2.1
7
10
186.01
5
CID 13988327
367.31
-1.6
6
9
169.54
4
2,8-Dihydroxy-4-quinolinecarboxylic acid
205.17
0.2
3
4
90.39
1
(2S)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol
396.60
8.6
1
2
29.46
9
[(3S,4aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl] acetate
466.70
9.4
0
2
26.3
2
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
456.70
10
0
2
26.3
7
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
454.70
9.8
0
2
26.3
8
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
454.70
9.8
0
2
26.3
8
22-Dehydroclerosteryl acetate
452.70
9.2
0
2
26.3
7
Stigmastanol acetate
458.80
10.7
0
2
26.3
8
Hypoletin 8-gentiobioside
626.50
-2
11
17
289.66
7
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
464.40
0.2
8
12
210.51
4
(2S)-2-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dihydrochromen-4-one
328.30
2.7
0
6
63.22
3
Dehydrogliotoxin
324.40
0.5
2
6
131.68
1
Bis(trimethylsilyl) 2,4-bis(4-trimethylsilyloxyphenyl)cyclobutane-1,3-dicarboxylate
617.00
0
6
71.06
12
4,5-Dihydroxy-2-piperidinecarboxylic acid
161.16
-4
4
5
89.79
1
(2S,4R,5R)-4,5-dihydroxypiperidine-2-carboxylic acid
161.16
-4
4
5
89.79
1
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