UCSF

ZINC53657653

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 30 No

Popular Name: 4-[[(4aS)-6-bromo-4-oxo-2-thioxo-4aH-quinazolin-3-yl]methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide 4-[[(4aS)-6-bromo-4-oxo-2-thioxo…

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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) 2.23 10.26 -48.56 3 7 1 92 485.387 6 ↓
Mid Mid (pH 6-8) 2.23 9.77 -21.34 2 7 0 90 484.379 6 ↓

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

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