UCSF

ZINC65531742

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: N-ethyl-N-[(S)-(4-fluorophenyl)-(4-pyridyl)methyl]-6-methyl-pyridine-2-carboxamide N-ethyl-N-[(S)-(4-fluorophenyl)-…

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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) 2.69 10.41 -10.4 0 4 0 46 349.409 5 ↓
Lo Low (pH 4.5-6) 2.69 10.88 -43.07 1 4 1 47 350.417 5 ↓

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

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