UCSF

ZINC60022053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 24 Yes

Popular Name: 1-[2-(4-methyl-1-piperidyl)ethyl]spiro[3H-quinazoline-2,1'-cyclopentane]-4-one 1-[2-(4-methyl-1-piperidyl)ethyl…

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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) 3.68 9.44 -49.89 2 4 1 37 328.48 3 ↓
Hi High (pH 8-9.5) 3.68 7.2 -8.56 1 4 0 36 327.472 3 ↓

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

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