UCSF

ZINC69896958

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 3-phenyl-1'-prop-2-ynyl-spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-phenyl-1'-prop-2-ynyl-spiro[1H…

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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) 3.38 10.31 -50.09 2 4 1 37 332.427 2 ↓
Mid Mid (pH 6-8) 3.38 8.05 -11.36 1 4 0 36 331.419 2 ↓

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

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