UCSF

ZINC53627380

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 No

Popular Name: 2-[[(4aS)-6,7-dimethoxy-4-oxo-4a,5-dihydro-3H-quinazolin-2-yl]methylsulfanyl]-N-[2-(1H-imidazol-4-yl 2-[[(4aS)-6,7-dimethoxy-4-oxo-4a…

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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) -1.30 3.63 -71.57 3 9 0 125 405.48 9 ↓
Mid Mid (pH 6-8) -1.30 3.17 -54.12 2 9 -1 124 404.472 9 ↓
Lo Low (pH 4.5-6) -1.49 5.62 -51.74 4 9 1 119 406.488 9 ↓

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

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