UCSF

ZINC69812219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

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

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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) 2.34 8.56 -51.88 2 4 1 37 312.437 3 ↓
Mid Mid (pH 6-8) 2.34 5.99 -14.39 1 4 0 36 311.429 3 ↓

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

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