UCSF

ZINC00050197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 14 Yes

Popular Name: 3-(DIMETHYLAMINO)-1-(4-METHYLPHENYL)PROPAN-1-ONE HCL 3-(DIMETHYLAMINO)-1-(4-METHYLPHE…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 02/02/50 , 199174-29-3 , 5250-02-2

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) 2.21 2.6 -40.58 1 2 1 21 192.282 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 161 KeyOrganics
Purity 97% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.