UCSF

ZINC67456912

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Popular Name: 2-[4-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]piperazin-1-yl]-N-[(1S)-1-methylpropyl]acetamide 2-[4-[2-[cyclopropyl(methyl)amin…

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Download: MOL2 SDF SMILES Flexibase

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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) 0.77 2.86 -12.15 1 6 0 56 310.442 7 ↓
Lo Low (pH 4.5-6) 0.77 5.06 -39.17 2 6 1 57 311.45 7 ↓
Lo Low (pH 4.5-6) 0.77 5.07 -38.57 2 6 1 57 311.45 7 ↓

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

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