UCSF

ZINC67963561

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (2R)-7-chloro-2-[1-methyl-3-(4-pyridyl)pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (2R)-7-chloro-2-[1-methyl-3-(4-p…

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) 1.79 4.76 -11.24 2 6 0 72 339.786 2 ↓
Lo Low (pH 4.5-6) 1.79 5.21 -48.4 3 6 1 73 340.794 2 ↓

Activity (Go SEA)

Rings

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

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