UCSF

ZINC69209706

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 31 Yes

Popular Name: 3-ethoxy-N-isopropyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-propoxy-benzamide 3-ethoxy-N-isopropyl-N-[(4-oxo-3…

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) 3.03 10.09 -14.72 1 7 0 85 423.513 9 ↓
Hi High (pH 8-9.5) 3.49 8.16 -63.46 0 7 -1 88 422.505 9 ↓

Activity (Go SEA)

Rings

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

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