UCSF

ZINC57729334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 33 No

Popular Name: N-benzyl-3-(tert-butylamino)-2-(4-dimethylaminophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbo N-benzyl-3-(tert-butylamino)-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) 4.41 11.44 -9.03 3 7 0 67 448.615 5 ↓
Mid Mid (pH 6-8) 4.41 10.45 -10.34 2 7 0 65 447.607 5 ↓
Lo Low (pH 4.5-6) 4.41 12.2 -20.96 4 7 0 68 449.623 5 ↓

Activity (Go SEA)

Rings

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

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