UCSF

ZINC32497035

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 19 Yes

Popular Name: 2-(3,4-Dimethoxy-phenyl)-2-piperidin-1-yl-ethylamine 2-(3,4-Dimethoxy-phenyl)-2-piper…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1043512-12-4 , 889939-57-5 , N/A

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) 1.28 5.41 -124.87 4 4 2 51 266.385 5 ↓
Hi High (pH 8-9.5) 1.28 3.56 -48.23 3 4 1 49 265.377 5 ↓
Hi High (pH 8-9.5) 1.28 5.05 -38.1 3 4 1 49 265.377 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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