UCSF

ZINC63751483

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 27 Yes

Popular Name: (3S)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6,7-dimethyl-3H-quinoxalin-2-one (3S)-3-[[4-(4-fluorophenyl)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) 3.68 7 -105.97 2 5 2 51 368.456 3 ↓
Mid Mid (pH 6-8) 3.68 8.96 -222.48 3 5 3 53 369.464 3 ↓

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

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