UCSF

ZINC00945523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 Yes

Popular Name: 2-ethyl-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-3-methyl-pyrido[1,2-a]benzimidazole 2-ethyl-1-[(3-keto-1,5-dimethyl-…

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) 5.23 13.78 -30.85 1 7 0 80 436.519 4 ↓
Lo Low (pH 4.5-6) 5.23 14.25 -31.36 2 7 1 81 437.527 4 ↓

Activity (Go SEA)

Rings

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

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