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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
Cirsiliol
330.29
2.6
3
7
109.36
3
(2S,3S,4S,5R,6R)-6-{[(6AR,6BS,8AS,12AR,14BR)-4,4,6A,6B,11,11,14B-Heptamethyl-8A-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}carbonyl)-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-tetradecahydropicen-3-YL]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}oxane-2-carboxylic acid
957.10
2.7
11
19
312.05
10
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxypent-4-enimidothioate
373.40
-0.8
5
11
199.79
8
(2S)-5,7-dihydroxy-8-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
426.50
4.8
4
6
107.22
7
Methyl aristolate
310.30
4.1
0
5
53.99
3
Cryptotanshinone
296.40
3.8
0
3
43.37
0
Dracorubin
488.50
5.3
0
5
61.81
3
4-Octyne
110.20
3.4
0
0
0
2
Rha(a1-3)[coumaroyl(-4)]Gal(b)-O-EtPh(4-OH)
592.60
0.2
7
13
204.83
11
Glc(b1-3)[Fru(b2-6)]a-Glc
504.40
-6.6
11
16
268.68
7
Pareirubrine B
307.30
2
1
5
68.65
2
(1R,9R,11S)-12,12-dimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3,5,7-triene-4,5-diol
316.40
4.5
2
3
49.69
1
5-[(1S,5R,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde
476.50
4.3
6
8
155.52
5
7,4'-Dihydroxy-8-prenylflavone
322.40
4.4
2
4
70.67
3
(3E)-3-[2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
318.40
4.3
1
3
46.53
2
Integristerone A
496.60
-0.5
7
8
158.68
5
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
552.50
-0.5
9
13
218.99
8
(3R,3aR,6aR)-3-(1,3-benzodioxol-5-yl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
248.23
1.1
0
5
53.99
1
(S)-14-Methylhexadecanoic acid
270.50
6.6
1
2
37.3
14
2'-Hydroxymatteucinol
330.30
3.1
3
6
96.22
2
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
390.40
1.7
6
8
139.84
5
8,13-Abietadien-18-oic acid
302.50
4.5
1
2
37.3
2
cis-Astringin
406.40
0.7
7
9
160.07
5
(2S,3R,4S,5S,6R)-2-[4-[(Z)-2-[3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
714.70
-2.3
12
18
298.14
11
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol
552.50
-0.5
9
13
218.99
8
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