UCSF

ZINC57916152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 Yes

Popular Name: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3H-benzofuro[3,2-d]pyrimidin-4-one 2-[(1-ethylbenzimidazol-2-yl)sul…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.42 7.4 -58.68 0 6 -1 80 375.433 4 ↓
Mid Mid (pH 6-8) 3.96 9.36 -24.08 1 6 0 77 376.441 4 ↓
Lo Low (pH 4.5-6) 3.96 10.31 -44.44 2 6 1 78 377.449 4 ↓

Activity (Go SEA)

Rings

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

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