UCSF

ZINC22698537

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 Yes

Popular Name: 2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridyl]-N-[2-(trifluoromethyl)phenyl]acetam 2-[2-[(4-acetylpiperazin-1-yl)me…

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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) 0.72 9 -31.29 1 8 0 84 466.46 7 ↓
Lo Low (pH 4.5-6) 0.91 7.88 -72.14 2 8 1 89 467.468 7 ↓
Lo Low (pH 4.5-6) 0.72 9.82 -72.66 2 8 1 85 467.468 7 ↓

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

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