UCSF

ZINC53528263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 28 No

Popular Name: 3-ethyl-2,4-dioxo-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]-1H-quinazoline-7-carboxamide 3-ethyl-2,4-dioxo-N-[5-(2-pyridy…

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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) 0.75 5.3 -50.73 2 10 -1 145 376.356 4 ↓
Hi High (pH 8-9.5) 1.21 3.42 -108.36 1 10 -2 148 375.348 4 ↓
Mid Mid (pH 6-8) 0.68 6.74 -17.27 3 10 0 138 377.364 4 ↓
Mid Mid (pH 6-8) 0.68 6.58 -53.59 2 10 -1 137 376.356 4 ↓

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Rings

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

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