UCSF

ZINC65553577

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 No

Popular Name: 3-[[(3-isopropyl-2,4-dioxo-imidazolidin-1-yl)methyl-methyl-amino]methyl]benzonitrile 3-[[(3-isopropyl-2,4-dioxo-imida…

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) 1.24 6.58 -15.05 0 6 0 68 300.362 5 ↓
Lo Low (pH 4.5-6) 1.24 9.1 -59.81 1 6 1 69 301.37 5 ↓

Activity (Go SEA)

Rings

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

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