UCSF

ZINC65594811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 25 No

Popular Name: (3-fluoro-4-methyl-5-nitro-phenyl)-[4-(2-pyridyl)piperazin-1-yl]methanone (3-fluoro-4-methyl-5-nitro-pheny…

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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) 2.02 9.65 -40.94 1 7 1 84 345.354 3 ↓
Mid Mid (pH 6-8) 2.02 9.32 -11.32 0 7 0 82 344.346 3 ↓

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

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