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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
N-Butyl glucosinolate
375.40
-0.4
5
11
199.79
8
2-Hydroxypropyl glucosinolate
377.40
-2.1
6
12
220.02
7
Licoricesaponin D3
1013.10
2.9
10
21
335.19
11
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
380.40
-1.9
5
8
144.52
1
Flavone base + 3O, 1MeO, C-Hex-FeruloylHex
800.70
0.3
10
19
304.96
12
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
290.40
3.2
0
5
99.85
5
5-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
566.50
-1.2
7
14
217.97
7
Cyanidin 3-sophoroside 5-glucoside
773.70
14
20
349.9
10
Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate
388.60
10
1
3
46.53
17
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
186.25
3
1
1
20.23
5
5-(12-Heptadecenyl)-1,3-benzenediol
346.50
9.2
2
2
40.46
15
2-[(E)-heptadec-5-enyl]benzene-1,3-diol
346.50
9.4
2
2
40.46
15
Glycinoprenol 11
773.30
21.2
1
1
20.23
34
(2Z,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol
705.20
19.3
1
1
20.23
31
Glycinoprenol 9
637.10
17.5
1
1
20.23
28
Glandulone B
244.28
2.2
0
3
51.21
4
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
510.50
-1.6
6
11
183.21
4
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
494.50
-0.1
5
10
162.98
4
Trigofoenoside F
1065.20
-1.8
14
23
366.29
15
Trigofoenoside G
1197.30
-3.8
16
27
425.21
17
(2E,4E,8E)-Piperamide-C9:3
325.40
4
0
3
38.77
6
(2E,8E)-Piperamide-C9:2
327.40
4.4
0
3
38.77
7
(2E,6E)-Piperamide-C7:2
299.40
3.7
0
3
38.77
5
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine
540.60
-6.8
8
14
310.04
19
cyclolinopeptide A
1040.30
7.8
7
9
244.32
13
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