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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
Camelliatannin A
1056.80
2.1
18
27
478.57
3
Tannic acid (TN)
1701.20
6.2
25
46
777.98
31
Isoleurosine
795.00
4.8
2
11
133.87
10
Woodfordin A
1725.20
3.9
27
48
810.6
24
Woodfordin B
1723.20
3.3
27
48
818.44
20
Nobotanin F
1873.30
4.5
29
52
877.36
15
[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl]oxy]benzoate
1875.30
3.6
29
52
877.36
20
Isorugosin D
1875.30
5.3
29
52
877.36
20
Remurin A
1106.80
2.7
18
31
531.17
12
Schimawalin B
1721.20
2.2
26
48
815.26
24
Camelliin B
1721.20
2.1
26
48
807.44
10
Isoschimawalin A
1254.80
2.2
19
35
602.59
14
Hirtellin A
1875.30
4.8
29
52
877.36
20
Hirtellin C
1873.30
4.7
28
52
866.36
6
Woodfordin I
1737.20
2.2
27
49
835.51
11
Hirtellin E
1571.10
3.2
24
44
732.84
15
Oenothein A
2353.60
2.7
36
66
1122.78
19
2-Hydroxy-6-tridecylbenzoic acid
320.50
8.4
2
3
57.53
13
beta-D-Glucopyranose, cyclic 4.fwdarw.2':6.fwdarw.2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate), 4-ester with beta-D-glucopyranose 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)
1877.30
5.1
29
52
877.36
27
Sanguiin H-6
1871.30
4.2
29
52
877.36
8
Cinnamtannin A2
1155.00
4.3
20
24
441.52
7
beta-Ergocryptine
575.70
2.7
3
6
118.21
5
Chickpea CLAP
2024.40
-3.9
28
27
796.99
62
Cinnamtannin B2
1153.00
4.3
19
24
430.52
6
Vescalagin carboxylic acid
962.60
1.8
16
27
472.25
1
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