UCSF

ZINC63743180

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 26 Yes

Popular Name: (3R)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3H-quinoxalin-2-one (3R)-3-[[4-(2,3-dimethylphenyl)p…

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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) 3.52 7.63 -105.41 2 5 2 51 350.466 3 ↓
Mid Mid (pH 6-8) 3.52 7.65 -179.84 3 5 3 53 351.474 3 ↓
Mid Mid (pH 6-8) 3.52 9.6 -217.96 3 5 3 53 351.474 3 ↓

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

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