UCSF

ZINC19220159

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 29 Yes

Popular Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol 2-[(2S)-1-(1-isopropyl-4-piperid…

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) 2.02 7.39 -102.77 3 6 2 50 401.599 6 ↓
Mid Mid (pH 6-8) 2.02 5.01 -42.63 2 6 1 49 400.591 6 ↓
Mid Mid (pH 6-8) 2.02 4.92 -37.88 2 6 1 49 400.591 6 ↓
Mid Mid (pH 6-8) 2.02 5.31 -92.47 3 6 2 50 401.599 6 ↓
Mid Mid (pH 6-8) 2.02 5.92 -72.86 3 6 2 50 401.599 6 ↓
Lo Low (pH 4.5-6) 2.02 7.78 -184.83 4 6 3 51 402.607 6 ↓
Lo Low (pH 4.5-6) 2.02 7.97 -169.41 4 6 3 51 402.607 6 ↓

Activity (Go SEA)

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