UCSF

ZINC49235768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 Yes

Popular Name: 2-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]isoindolin-1-imine 2-[(1R)-2-imidazol-1-yl-1-methyl…

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) 0.54 8.97 -34.16 2 4 1 47 241.318 3 ↓
Mid Mid (pH 6-8) 0.54 9.49 -86.11 3 4 2 48 242.326 3 ↓

Activity (Go SEA)

Rings

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

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