UCSF

ZINC37308636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Popular Name: 2-[[(3-fluorophenyl)methylamino]methyl]-3H-quinazolin-4-one 2-[[(3-fluorophenyl)methylamino]…

Find On: PubMed — Wikipedia — Google

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) 2.19 5.66 -11.99 2 4 0 58 283.306 4 ↓
Mid Mid (pH 6-8) 2.19 7.01 -60.51 3 4 1 62 284.314 4 ↓
Mid Mid (pH 6-8) 2.64 4.43 -51.05 2 4 0 65 283.306 4 ↓

Activity (Go SEA)

Rings

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

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