UCSF

ZINC69738952

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

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

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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) 1.87 8.39 -57.44 2 5 1 50 336.415 3 ↓
Mid Mid (pH 6-8) 1.87 6.09 -13.83 1 5 0 49 335.407 3 ↓

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

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