UCSF

ZINC63751492

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 30 Yes

Popular Name: (3R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,7-dimethyl-3H-quinoxalin-2-one (3R)-3-[[4-(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) 3.11 6.87 -188.56 3 7 3 71 409.51 4 ↓
Mid Mid (pH 6-8) 3.11 4.62 -103.08 2 7 2 70 408.502 4 ↓
Mid Mid (pH 6-8) 3.11 6.68 -214.43 3 7 3 71 409.51 4 ↓

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

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