UCSF

ZINC67560570

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 22 Yes

Popular Name: (1R,5S)-8-(7-methoxy-4-methyl-quinazolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-(7-methoxy-4-methyl-qu…

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Download: MOL2 SDF SMILES Flexibase

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) 2.89 7.39 -13.95 1 5 0 58 299.374 2 ↓
Lo Low (pH 4.5-6) 2.89 7.77 -32.64 2 5 1 60 300.382 2 ↓
Lo Low (pH 4.5-6) 2.89 7.79 -23.57 2 5 1 60 300.382 2 ↓

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Rings

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

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