UCSF

ZINC34685279

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 Yes

Popular Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[(1R)-1-methylpropyl]thiazole-4-carboxami 2-[[4-(1,3-benzodioxol-5-ylmethy…

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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) 2.23 5.96 -53.23 2 7 1 68 417.555 7 ↓
Mid Mid (pH 6-8) 2.23 3.71 -11.98 1 7 0 67 416.547 7 ↓
Mid Mid (pH 6-8) 2.23 5.97 -50.78 2 7 1 68 417.555 7 ↓

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