UCSF

ZINC69119745

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 No

Popular Name: N-methyl-4-oxo-N-[(1R)-1-(3-pyridyl)ethyl]-2-sulfanyl-3H-quinazoline-7-carboxamide N-methyl-4-oxo-N-[(1R)-1-(3-pyri…

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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) 1.09 4.55 -43.22 1 6 -1 85 339.4 3 ↓
Mid Mid (pH 6-8) 0.64 5.88 -17.23 2 6 0 82 340.408 3 ↓
Lo Low (pH 4.5-6) 0.64 6.34 -48.71 3 6 1 83 341.416 3 ↓

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

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