UCSF

ZINC13674742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 37 Yes

Popular Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-bicyclo[2.2.2]octanyl)1H-imidazole-4-carbonyl]amino]benzoic 3-[[5-[2-(1-adamantyl)ethyl]-2-(…

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) 6.61 14.19 -67.18 2 6 -1 98 500.663 7 ↓
Mid Mid (pH 6-8) 6.61 14.61 -89.77 3 6 0 99 501.671 7 ↓
Mid Mid (pH 6-8) 6.61 15.16 -65.19 2 6 -1 98 500.663 7 ↓

Activity (Go SEA)

Rings

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

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