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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
Biscopyran
388.50
2.8
0
6
71.06
6
Myxotrichin D
274.22
0.9
2
6
96.97
1
Guignardone F
308.40
0.3
2
5
75.99
0
(3S,5R,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
398.70
8.4
1
1
20.23
5
Tuberculariol D
254.36
1.6
2
3
49.69
0
Phomo-2,3-dihydrochromone
288.25
2
1
6
82.06
1
Cochliomycin C
398.80
2.9
4
7
116.45
1
Penibruguieramine A
281.39
2
2
3
60.77
6
[(2R)-3-[[(2R)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-21-hydroxy-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-2-methoxy-3-oxopropyl] hydrogen sulfate
1128.30
3.4
9
17
354.32
19
Similin A
224.30
2.6
1
3
54.37
4
5,6,8-Trihydroxy-4-(1'-hydroxyethyl) isocoumarin
238.19
0.5
4
6
111.13
1
(s)-4-Hentriacontyl-dihydrofuran-2-one
520.90
16.3
0
2
26.3
30
Aspergilazine A
564.60
2.7
3
4
119.54
5
Eremophil-9-ene-11,12,13-triol
254.36
1.6
3
3
60.69
3
(5S,9R,10S,13R,14R,17R)-17-[(2R,5S,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
412.60
6.1
1
2
37.3
5
Prugosene B1
470.60
5
2
6
93.06
8
Rubasperone C
570.50
6.3
2
10
137.8
5
Trans-7-chloro-4-hydroxymellein
228.63
2
2
4
66.76
0
(3S,3aR,9aR)-3-acetyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione
302.32
1.3
0
5
69.67
2
Fumiquinazoline M
705.70
0.7
6
11
203.55
4
Prugosene B2
484.60
5.3
1
6
82.06
9
Isominiolutelide A
490.50
0.4
1
10
134.66
3
CID 139587800
204.35
5
0
0
0
0
(7R,9R,10S)-Aklavinone
412.40
2.5
4
8
141.36
3
Rubasperone B
570.50
6.3
2
10
137.8
5
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