UCSF

ZINC23042844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 30 Yes

Popular Name: 3-methyl-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitril 3-methyl-1-[4-(2-oxo-2-pyrrolidi…

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) 2.76 12.15 -66.38 1 7 1 69 403.51 3 ↓
Hi High (pH 8-9.5) 2.76 9.93 -18.74 0 7 0 68 402.502 3 ↓
Lo Low (pH 4.5-6) 2.76 12.56 -95.37 2 7 2 70 404.518 3 ↓
Lo Low (pH 4.5-6) 2.76 11.48 -30.86 1 7 1 69 403.51 3 ↓

Activity (Go SEA)

Rings

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