UCSF

ZINC65535636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 2-{3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-methylphenyl)ethanone 2-{3-[2-(diethylamino)ethyl]-2-i…

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) 3.44 6.32 -41.14 3 5 1 58 346.495 6 ↓
Hi High (pH 8-9.5) 3.44 6.12 -8.42 2 5 0 54 345.487 6 ↓
Lo Low (pH 4.5-6) 3.44 8.14 -118.93 4 5 2 59 347.503 6 ↓

Activity (Go SEA)

Rings

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

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