UCSF

ZINC63244331

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 18 Yes

Popular Name: N-(4H-1,2,4-triazol-3-yl)quinoxaline-2-carboxamide N-(4H-1,2,4-triazol-3-yl)quinoxa…

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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) 0.64 4.67 -15.51 2 7 0 96 240.226 2 ↓
Mid Mid (pH 6-8) 0.71 3.1 -49.04 1 7 -1 103 239.218 2 ↓
Mid Mid (pH 6-8) 0.64 4.54 -48.23 1 7 -1 95 239.218 2 ↓

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

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