UCSF

ZINC60021877

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 34 Yes

Popular Name: (2S)-1-[2-[1-[(1R)-1-methyl-2-phenyl-ethyl]-4-piperidyl]ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-[1-[(1R)-1-methyl-2-ph…

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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) 6.01 16.66 -51.33 2 4 1 37 454.638 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4060526; US4085107; US4205173 IBM Patent Data

Activity (Go SEA)

Rings

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

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