UCSF

ZINC67963773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: (2R)-7-chloro-3-methyl-2-[1-methyl-3-(3-pyridyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-7-chloro-3-methyl-2-[1-meth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.78 7.13 -11.84 1 6 0 63 353.813 2 ↓
Lo Low (pH 4.5-6) 1.78 7.73 -47.53 2 6 1 64 354.821 2 ↓

Activity (Go SEA)

Rings

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

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