UCSF

ZINC13545696

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

Popular Name: 7-(4-chlorophenyl)-1-phenyl-2-thioxo-1,2,3,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrazin-6(5H)-one 7-(4-chlorophenyl)-1-phenyl-2-th…

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Other Names:

MFCD05740972

Download: MOL2 SDF SMILES Flexibase

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) 2.71 12.01 -11.95 1 5 0 46 356.838 2 ↓
Hi High (pH 8-9.5) 3.44 12 -40.9 0 5 -1 43 355.83 2 ↓

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

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