UCSF

ZINC34684928

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 Yes

Popular Name: [2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]oxazol-4-yl]-(4-ethylpiperazin-1-yl)methanone [2-[[4-(2,3-dimethylphenyl)piper…

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Vendors

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) 2.60 6.44 -8.08 0 7 0 56 411.55 5 ↓
Mid Mid (pH 6-8) 2.60 8.73 -49.97 1 7 1 57 412.558 5 ↓
Mid Mid (pH 6-8) 2.60 8.67 -40.69 1 7 1 57 412.558 5 ↓
Mid Mid (pH 6-8) 2.60 10.94 -101.76 2 7 2 58 413.566 5 ↓
Mid Mid (pH 6-8) 2.60 6.44 -38.77 1 7 1 57 412.558 5 ↓
Lo Low (pH 4.5-6) 2.60 8.65 -87.4 2 7 2 58 413.566 5 ↓

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