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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
N6-(Delta2-isopentenyl)-adenosine 5'-triphosphate
572.27
-3.8
4
17
303.06
10
p-dihydrocoumaroyl-CoA
911.70
-1.5
6
25
456.89
23
[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate
598.12
-7.2
4
19
399.02
9
pppGpp
677.09
-8.4
4
22
458.19
11
tetrahydropteroyl tri-L-glutamate
699.60
0.4
8
16
355.68
15
trans-Delta2, cis-Delta4-decadienoyl-CoA
913.70
-0.3
5
24
436.66
25
trans-Delta2-decenoyl-CoA
915.70
0.2
5
24
436.66
26
Trehalose-mono-mycolate
1462.30
33.7
8
13
215.83
77
[3,4,5-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-[1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl]octacosanoate
1590.50
36.1
8
14
232.9
85
[3,4,5-Trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-[1-hydroxy-16-[2-(18-methoxy-19-methylheptatriacontan-2-yl)cyclopropyl]hexadecyl]octacosanoate
1592.50
36.5
8
14
225.06
85
UDP-3-O-(3-hydroxymyristoyl)-alpha-D-glucosamine
790.70
-2.7
8
19
351.79
23
UDP-alpha-D-sulfoquinovopyranose
627.30
-7.9
6
19
367.62
9
[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] (3,4,5-trihydroxyoxan-2-yl) phosphate
534.26
-6.7
6
16
302.04
8
[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl] [[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
534.26
-5.9
6
16
302.04
9
DIBOA dihexose
535.50
-3.2
8
15
237.53
7
HMBOA dihexose
697.60
-5.3
11
20
316.68
10
HMBOA trihexose
173.25
2.2
0
2
40.13
3
DIBOA tetrahexose
188.22
-0.2
1
3
83.22
4
Glutamic acid betaine
582.60
3.7
6
11
179.28
6
5-hydroxy-2-(4-methoxyphenyl)-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
608.50
-0.3
8
15
238.2
7
(3S,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-ol
404.40
1.7
3
8
106.84
5
Hydroxysyringaresinol
342.30
-1.1
7
9
167.91
4
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxobut-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enoic acid
384.40
2.8
3
7
113.29
7
Buddlenol D
578.90
11.9
1
4
55.76
10
[(16R)-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
616.90
12.6
1
4
55.76
10
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