UCSF

ZINC63740079

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 25 Yes

Popular Name: 2-(2-dimethylaminoethyloxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide 2-(2-dimethylaminoethyloxy)-N-(2…

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) 2.63 6.79 -42.2 3 7 1 89 342.375 6 ↓
Hi High (pH 8-9.5) 3.09 4.15 -68.24 2 7 0 92 341.367 6 ↓
Hi High (pH 8-9.5) 2.63 4.34 -16.94 2 7 0 88 341.367 6 ↓
Hi High (pH 8-9.5) 3.09 1.71 -53.86 1 7 -1 91 340.359 6 ↓

Activity (Go SEA)

Rings

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

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