UCSF

ZINC65552712

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 19 No

Popular Name: 7-[(2-fluorophenyl)methyl]-3-thioxo-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one 7-[(2-fluorophenyl)methyl]-3-thi…

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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) 1.53 6.99 -45.37 0 5 -1 58 275.288 2 ↓
Lo Low (pH 4.5-6) 1.08 8.11 -11.55 1 5 0 55 276.296 2 ↓

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

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