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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
(9Z)-lycopene
536.90
15.6
0
0
0
16
Hypochoeroside A
428.50
-0.7
5
9
145.91
3
Capsicoside C1
889.00
0.2
10
18
276.14
8
1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
280.32
0.1
2
5
79.29
0
2'-(4-Hydroxyphenylacetyl)-6'-(4-hydroxy-3-methylbutanoyl)-phloroacetophenone 4'-[rhamnosyl-(1->2)-glucoside]
710.70
-0.9
8
17
268.43
15
9,10,11-Trihydroxyumbelliprenin
416.50
3.8
3
6
100.13
10
[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
464.40
0.5
7
11
186.37
8
11b,13-Dihydrolactucin
292.33
-0.1
2
5
83.83
1
8'-Apo-b-caroten-8'-ol
418.70
9.5
1
1
20.23
9
Petunidin 3-rhamnoside
447.40
6
9
160.37
4
(not+/-)-trans-Nerolidol
194.31
3.7
1
1
20.23
7
Pelargonidin 3-O-sambubioside
565.50
9
13
230.29
6
Protocatechuic acid 4-glucoside
316.26
-1.8
6
9
156.91
4
(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoyl-CoA
1194.10
1.3
8
27
497.35
24
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[3-[2-[(Z,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoyl]sulfanylethylimino]-3-oxidopropyl]-2-hydroxy-3,3-dimethylbutanimidate
1178.10
2.7
7
26
477.12
24
(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoyl CoA
1212.10
0.3
9
28
517.58
25
(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestanoyl CoA
1196.10
1.7
8
27
497.35
25
(R+)-3-(4-hydroxyphenyl)lactate
181.16
1.4
2
4
80.59
3
[hydroxy-[(1R,2R,3S,4R,5R,6R)-3-[oxido(phosphonatooxy)phosphoryl]oxy-2,4,5,6-tetraphosphonatooxycyclohexyl]oxyphosphoryl] phosphate
806.89
-13.5
1
30
608.89
10
N-[(1R,2S,3R,4R,5R)-3-[(1R)-1-carboxyethoxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanimidate
274.25
-0.6
2
8
120.64
4
CID 157010140
414.50
2.3
2
6
85.13
4
5,7-Dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
314.25
2.5
3
7
109.36
1
5-(1-Carboxylatoethenoxy)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohex-2-ene-1-carboxylate
325.25
1.7
1
9
166.92
5
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxypentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
1134.00
-1.3
6
24
466.98
23
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-3-hydroxy-2-methylheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
1176.10
0
6
24
466.98
25
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