UCSF

ZINC32445532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 17 Yes

Popular Name: 2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine 2-(4-methylphenyl)-2-(4-methylpi…

Find On: PubMed — Wikipedia — Google

CAS Number: 915923-71-6

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) 2.33 7.48 -117.86 4 2 2 32 234.387 3 ↓
Hi High (pH 8-9.5) 2.33 5.33 -44.09 3 2 1 31 233.379 3 ↓
Hi High (pH 8-9.5) 2.33 7.77 -28.25 3 2 1 30 233.379 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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