UCSF

ZINC60022312

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 Yes

Popular Name: (2S)-6-methoxy-1-[(1S)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazo (2S)-6-methoxy-1-[(1S)-1-methyl-…

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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) 5.93 14.55 -61.36 2 6 1 55 514.69 9 ↓
Hi High (pH 8-9.5) 5.93 12.66 -13.23 1 6 0 54 513.682 9 ↓

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

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