UCSF

ZINC20189197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 Yes

Popular Name: 2-[(1S)-1-[(1-isopropyl-4-piperidyl)amino]ethyl]benzene-1,4-diol 2-[(1S)-1-[(1-isopropyl-4-piperi…

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) 2.58 2.58 -33.64 4 4 1 57 279.404 4 ↓
Mid Mid (pH 6-8) 2.59 1.39 -38.29 4 4 1 60 279.404 4 ↓
Lo Low (pH 4.5-6) 2.59 3.78 -106.68 5 4 2 61 280.412 4 ↓

Activity (Go SEA)

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