UCSF

ZINC69249479

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 31 No

Popular Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(dioxoBLAHyl)acetamide N-[2-(4-benzylpiperazin-1-yl)eth…

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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) 1.77 8.08 -45.98 2 7 1 74 423.537 7 ↓
Mid Mid (pH 6-8) 1.77 5.82 -15.57 1 7 0 73 422.529 7 ↓
Mid Mid (pH 6-8) 1.77 8.1 -46.9 2 7 1 74 423.537 7 ↓

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Rings

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