UCSF

ZINC58311969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 Yes

Popular Name: 2-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-yl]pyridine-4-carboxamide 2-[4-(3-fluoro-4-methyl-benzoyl)…

Find On: PubMed — Wikipedia — Google

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) 0.90 5.42 -16.43 2 6 0 80 342.374 3 ↓
Lo Low (pH 4.5-6) 0.90 5.75 -52.07 3 6 1 81 343.382 3 ↓

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

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