UCSF

ZINC31560799

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 Yes

Popular Name: 1-(4-Phenyl-4-propionyloxy-1,3,6-trimethyl-3-piperidinomethyl)morpholine dihydrochloride; 4-Piperidinol, 5-morpholinomethyl-4-phenyl-1,2,5-trimethyl-, propionate, dihydrochloride; 5-Morpholinomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, propionate, dihy 1-(4-Phenyl-4-propionyloxy-1,3,6…

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) 3.38 9.65 -40.21 1 5 1 43 375.533 6 ↓
Hi High (pH 8-9.5) 3.38 7.67 -5.69 0 5 0 42 374.525 6 ↓
Lo Low (pH 4.5-6) 3.38 11.24 -116.85 2 5 2 44 376.541 6 ↓

Activity (Go SEA)

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