UCSF

ZINC23363227

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 25 Yes

Popular Name: 2-[(1R)-1-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethyl]-3H-quinazolin-4-one 2-[(1R)-1-(1-butyl-4,5-dimethyl-…

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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) 3.90 10.58 -10.77 1 5 0 64 356.495 6 ↓
Hi High (pH 8-9.5) 4.36 9.76 -47.23 0 5 -1 67 355.487 6 ↓
Mid Mid (pH 6-8) 3.90 10.89 -35.54 2 5 1 65 357.503 6 ↓

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