UCSF

ZINC20614325

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 Yes

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-ethoxy-benzamide N-[(2S)-2-(1,3-benzodioxol-5-yl)…

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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) 2.96 6.69 -48.33 2 7 1 64 412.51 7 ↓
Mid Mid (pH 6-8) 2.96 6.73 -47.87 2 7 1 64 412.51 7 ↓
Mid Mid (pH 6-8) 2.96 4.3 -11.32 1 7 0 63 411.502 7 ↓

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