UCSF

ZINC69703538

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: (4-chloro-2-fluoro-phenyl)-[4-(1H-triazole-4-carbonyl)piperazin-1-yl]methanone (4-chloro-2-fluoro-phenyl)-[4-(1…

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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) 0.68 4.3 -12.61 1 7 0 82 337.742 2 ↓
Mid Mid (pH 6-8) 0.68 4.28 -39.52 0 7 -1 81 336.734 2 ↓

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

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