UCSF

ZINC65523715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 31 Yes

Popular Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-[1-(2-fluorophenyl)-5-methyl-pyrazol-4-yl]meth [4-[(3-fluoro-4-methoxy-phenyl)m…

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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) 2.54 8.78 -16.12 0 6 0 51 426.467 5 ↓
Lo Low (pH 4.5-6) 2.54 10.99 -56.04 1 6 1 52 427.475 5 ↓

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

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