UCSF

ZINC53627379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 28 No

Popular Name: 2-[[(4aR)-6,7-dimethoxy-4-oxo-4a,5-dihydro-3H-quinazolin-2-yl]methylsulfanyl]-N-[2-(1H-imidazol-4-yl 2-[[(4aR)-6,7-dimethoxy-4-oxo-4a…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.30 3.65 -71.55 3 9 0 125 405.48 9 ↓
Mid Mid (pH 6-8) -1.30 3.19 -54.06 2 9 -1 124 404.472 9 ↓
Lo Low (pH 4.5-6) -1.49 5.64 -51.64 4 9 1 119 406.488 9 ↓

Activity (Go SEA)

Rings

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

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