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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
Effususol A
284.30
3.5
2
3
49.69
2
dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4-hydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-7,14-bis[[(E)-2-methylbut-2-enoyl]oxy]-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
802.80
1.2
2
17
221.41
13
Shizukaol G
748.80
0.2
3
14
209.26
2
beta-D-Glucose 1-phosphate
260.14
-3.8
6
9
166.72
3
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-octadec-9-enoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
762.00
10
3
11
181.49
41
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)-
222.37
4.6
1
1
20.23
7
butyryl-CoA
837.60
-4.8
9
22
418.36
22
Ethyl methyl sulfide
76.16
1.5
0
1
25.3
1
3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid
450.70
5.2
4
5
97.99
6
Dimethyl Disulfide
94.20
1.8
0
2
50.6
1
11-Octadecaenoic acid
282.50
6.5
1
2
37.3
15
5-Hydroxy-3-[(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)methyl]-2-methylnaphthalene-1,4-dione
388.40
4.1
2
6
108.74
2
cis-Carvotanacetol
154.25
2.1
1
1
20.23
1
Trehalose-6-phosphate
422.28
-5.8
9
14
245.87
6
threo-9,10-Dihydroxystearic acid
316.50
5.1
3
4
77.76
16
(9S,10S)-9,10-dihydroxystearic acid
316.50
5.1
3
4
77.76
16
N-acetylputrescine
130.19
-0.7
2
2
55.12
4
D-Erythrose 4-phosphate
200.08
-3.3
4
7
134.1
5
beta-D-Glucopyranosiduronic acid, (3beta,4beta,16alpha,21beta,22alpha)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1,2)-O-(beta-D-glucopyranosyl-(1-4))-
1007.10
-1.7
15
22
375.9
11
Meratin
626.50
-1.8
11
17
289.66
7
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-
462.40
0.5
6
11
179.28
5
(2S,3R,4S,5S)-2-[(1S,1'R,4S,4'R,5S,5'R,6'R,10'S,12'R,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol
600.80
3.8
3
8
110.14
2
(5E,9R,10E)-6,12-dimethyl-9-propan-2-yltrideca-5,10,12-trien-2-one
262.40
5.8
0
1
17.07
9
(2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
568.70
5.4
3
5
99.77
8
Florosenine
423.50
1.2
0
9
111.74
2
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