UCSF

ZINC33823899

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 24 Yes

Popular Name: 1-(beta-Dimethylaminoethyl)-2,5-dimethyl-4-propionyloxy-4-phenylpiperidine ditartrate 2H2O; BRN 1488901; LS-115101; Piperidine, 2,5-dimethyl-1-(2-dimethylaminoethyl)-4-phenyl-4-propionyloxy-, ditartrate, dihydrate 1-(beta-Dimethylaminoethyl)-2,5-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.66 10.24 -40.37 1 4 1 34 333.496 7 ↓
Hi High (pH 8-9.5) 3.66 7.78 -4.81 0 4 0 33 332.488 7 ↓
Lo Low (pH 4.5-6) 3.66 11.99 -117.68 2 4 2 35 334.504 7 ↓

Activity (Go SEA)

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