UCSF

ZINC65552710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 18 No

Popular Name: 7-benzyl-3-thioxo-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one 7-benzyl-3-thioxo-2H-[1,2,4]tria…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 7.12 -51.24 0 5 -1 58 257.298 2 ↓
Lo Low (pH 4.5-6) 0.96 8.2 -16.15 1 5 0 55 258.306 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.