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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
Campestanyl-18:2
665.10
17
0
2
26.3
21
Salvianan A
303.40
5.4
0
3
35.26
0
Salvianan D
307.40
5.6
0
3
35.26
0
ent-3beta,13R-dihydroxyatis-16-en-14-one
318.40
2.8
2
3
57.53
0
Salvianan B
289.30
5
0
3
35.26
0
(5R)-9-benzyl-5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaene
379.40
6.9
0
3
35.26
2
O-Methylmukonal
227.26
2.5
2
2
45.25
2
Garciosone F
408.40
5.6
2
6
89.13
3
S-(4-oxo-2-methylpentan-2-yl)-L-cysteine
219.30
-1.8
1
4
110.14
5
(2R)-2-azaniumyl-3-(prop-2-enyldisulfanyl)propanoate
193.30
-1.4
1
4
118.37
5
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
315.40
2.5
3
5
70.95
4
S-(1-Hydroxyhexan-3-yl)-L-cysteine
221.32
-1.1
2
4
113.3
7
2,6,10,14-Hexadecatetraen-1-ol
234.38
4.1
1
1
20.23
10
(3R,4aR,8aS)-5,8a-dimethyl-3-propan-2-yl-2,3,4,4a-tetrahydro-1H-naphthalene
204.35
5.2
0
0
0
1
2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-9H-pyrano[3,2-g]quinolin-8-one
295.40
4.2
1
2
42.09
2
methyl (3R,4'S,4'aR,10'aS,10'bS)-4'-methyl-2-oxospiro[1H-indole-3,10'-4,4a,5,6,8,9,10a,10b-octahydropyrano[3,4-g]indolizine]-1'-carboxylate
368.40
1.6
1
5
67.87
2
(5S,6S)-7,9-dibromo-N-[4-[[(5S,6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]butyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
818.10
1
4
10
160.3
9
[(1S,2R,3aR,4R,5E,7R,11R,12E,13aS)-3a,4,11-triacetyloxy-7-hydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,7,10,11,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
598.70
3.1
1
10
142.5
9
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21R,22S,23R,25S,29S)-12,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone
560.60
-0.2
2
11
154.89
0
(1R,16R,19S,21R)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde
345.40
4.9
1
2
42.09
1
methyl (3S,4aS,5R,6R,6aS,7S,11aS,11bR)-6-acetyloxy-3-benzoyloxy-4a,5-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
540.60
3.7
2
9
132.5
7
(1S,2S,10S,11R,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane
262.40
3.2
1
2
15.27
0
12a-Hydroxydalpanol
428.40
2.1
2
8
103.68
3
2-hydroxy-5-methoxy-3-[(Z)-tridec-8-enyl]cyclohexa-2,5-diene-1,4-dione
334.40
5.9
1
4
63.6
12
Methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate
396.40
2.9
2
7
117.97
7
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