UCSF

ZINC53298505

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 28 Yes

Popular Name: 2-butyl-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile 2-butyl-1-[(3S)-3-(dimethylamino…

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) 5.05 15.22 -61.54 1 5 1 49 376.528 5 ↓
Mid Mid (pH 6-8) 5.05 12.82 -13.04 0 5 0 48 375.52 5 ↓

Activity (Go SEA)

Rings

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

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