UCSF

ZINC64548818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 Yes

Popular Name: [4-fluoro-4-[[(5-methyl-2-pyridyl)methylamino]methyl]-1-piperidyl]-BLAHyl-methanone [4-fluoro-4-[[(5-methyl-2-pyridy…

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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) 4.26 13.61 -47.19 2 4 1 50 472.628 5 ↓
Mid Mid (pH 6-8) 4.26 12.25 -11.33 1 4 0 45 471.62 5 ↓

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

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