UCSF

ZINC33755452

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 28 Yes

Popular Name: 4-Piperidinol, 2,5-dimethyl-1-(2-(dimethylamino)ethyl)-, 3,4,5-trimethoxybenzoate, ditartrate, (D)-; D-2,5-Dimethyl-1-(2-(dimethylamino)ethyl)-4-piperidinol 3,4,5-trimethoxybenzoate ditartrate; LS-117002 4-Piperidinol, 2,5-dimethyl-1-(2…

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) 3.00 8.26 -43.57 1 7 1 62 395.52 9 ↓
Hi High (pH 8-9.5) 3.00 5.78 -7.58 0 7 0 60 394.512 9 ↓
Mid Mid (pH 6-8) 3.00 7.91 -42.76 1 7 1 62 395.52 9 ↓
Mid Mid (pH 6-8) 3.00 10.37 -121.01 2 7 2 63 396.528 9 ↓

Activity (Go SEA)

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