UCSF

ZINC33823901

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 26 Yes

Popular Name: 1-(beta-Diethylaminoethyl)-2,5-dimethyl-4-propionyloxy-4-phenylpiperidine ditartrate dihydrate; 4-Piperidinol, 1-(2-(diethylamino)ethyl)-2,5-dimethyl-4-phenyl-, propanoate (ester), 2C4H6O6; BRN 1494685; LS-115005; Piperidine, 1-(2-diethylaminoethyl)-2,5-d 1-(beta-Diethylaminoethyl)-2,5-d…

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) 4.42 11.87 -38.49 1 4 1 34 361.55 9 ↓
Hi High (pH 8-9.5) 4.42 9.73 -4.76 0 4 0 33 360.542 9 ↓
Lo Low (pH 4.5-6) 4.42 13.59 -116.73 2 4 2 35 362.558 9 ↓

Activity (Go SEA)

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