UCSF

ZINC63751446

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-6,7-dimethyl-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3H-quinoxalin-2-one (3R)-6,7-dimethyl-3-[[4-(2-pyrid…

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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) 2.62 6.69 -158.83 3 6 3 66 352.462 3 ↓
Mid Mid (pH 6-8) 2.62 8.4 -215.05 3 6 3 66 352.462 3 ↓
Mid Mid (pH 6-8) 2.62 8.71 -301.66 4 6 4 67 353.47 3 ↓
Mid Mid (pH 6-8) 2.62 6.37 -104.07 2 6 2 64 351.454 3 ↓

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

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