UCSF

ZINC58311651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: N-[(1S)-1-methylpropyl]-2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]acetamide N-[(1S)-1-methylpropyl]-2-[4-[[3…

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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) 2.25 3.65 -11.36 1 6 0 53 347.385 7 ↓
Lo Low (pH 4.5-6) 2.25 6 -46.48 2 6 1 55 348.393 7 ↓

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

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