UCSF

ZINC60022239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 Yes

Popular Name: (2S)-6-amino-2-(4-hydroxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-(4-hydroxyphenyl)…

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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) 2.37 6.94 -56.01 5 6 1 83 381.5 4 ↓
Hi High (pH 8-9.5) 2.37 4.69 -11.44 4 6 0 82 380.492 4 ↓

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

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