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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
[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-oxopentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
1132.00
-1.1
5
24
463.82
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)-2-methyl-3-oxoheptanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
1174.10
0.1
5
24
463.82
25
4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-[3-hydroxy-3-(4-oxidophenyl)propanoyl]sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate
927.70
-2.6
7
26
477.12
23
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-oxido-3-[2-[3-(4-oxidophenyl)-3-oxopropanoyl]sulfanylethylimino]propyl]butanimidate
925.60
-1.9
6
26
473.96
23
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-N-[3-[2-(3-hydroxy-3-phenylpropanoyl)sulfanylethylimino]-3-oxidopropyl]-3,3-dimethylbutanimidate
911.70
-3
6
25
456.89
22
3-hydroxy-eicosatrienoyl-CoA
1068.00
2.1
6
25
456.89
34
[5-(6-Aminopurin-9-yl)-2-[[[[4-[[3-[2-[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoylsulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
1090.00
-0.9
5
23
446.75
21
3-oxo-eicosatrienoyl-CoA
1066.00
2.2
5
25
453.73
34
3-oxocholest-4-en-26-oyl-CoA
1160.10
3.5
5
25
453.73
25
2-[4-[2-[[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino]-1-oxidopropylidene]amino]ethylsulfanyl]-4-oxobutanoyl]benzoate
966.70
-2.4
5
27
493.86
23
[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
352.19
-4.6
6
11
235.69
4
6-Hydroxymethyl-dihydropterin diphosphate
352.11
-2.7
3
13
237.82
4
[3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] phosphate
333.19
-4.5
5
10
218.85
4
[[[5-(2-Amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
535.15
-7.7
5
16
359.82
7
CID 157010212
472.28
-4.1
3
11
244.07
10
22-(2-Carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate
590.70
2.6
1
9
137.84
7
CID 157010215
297.30
2.2
0
3
41.43
1
[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] (2,3,4,5-tetrahydroxy-6-oxohexanoyl) phosphate
617.30
-7.2
8
19
381.91
13
[(5-acetamido-6-methoxy-6-oxohexyl)amino]-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
546.40
-3
6
13
265.88
13
m7G(5')pppAm
798.40
-7.6
6
22
425.32
13
m7G(5')pppm6Am
812.50
-6.9
6
22
411.33
14
CID 157010251
116.14
-1.9
0
2
46.03
2
4-(1-Oxidoethylideneamino)-5-oxo-5-phosphonooxypentanoate
267.13
-0.5
2
9
169.19
6
CID 157010254
167.10
-4
0
4
88.13
3
(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-[2-[2-(methylamino)benzoyl]sulfanylethylimino]-3-oxidopropyl]butanimidate
896.70
-1.6
6
25
448.69
21
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