UCSF

ZINC69516177

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 29 Yes

Popular Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide N-[2-(4-benzylpiperazin-1-yl)-2-…

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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) 2.64 7.41 -10.63 1 5 0 53 405.42 6 ↓
Mid Mid (pH 6-8) 2.64 9.62 -50.5 2 5 1 54 406.428 6 ↓

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

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