UCSF

ZINC66738625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 27 Yes

Popular Name: 3-isobutyl-1'-(4-pyridylmethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one 3-isobutyl-1'-(4-pyridylmethyl)s…

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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) 2.29 9.76 -61.37 2 5 1 50 365.501 4 ↓
Mid Mid (pH 6-8) 2.29 7.43 -11.42 1 5 0 48 364.493 4 ↓

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

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