UCSF

ZINC14240906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 32 Yes

Popular Name: 6,7-dimethoxy-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one 6,7-dimethoxy-2-[[4-[5-(trifluor…

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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) 2.11 8.84 -63.78 2 8 1 85 450.441 6 ↓
Mid Mid (pH 6-8) 2.11 5.6 -14.45 1 8 0 84 449.433 6 ↓
Mid Mid (pH 6-8) 2.10 9.03 -60.73 2 8 1 85 450.441 6 ↓

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Rings

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

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