UCSF

ZINC19537366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 Yes

Popular Name: 1-(2-Pyridinyl)-4-((3,4,5-trimethoxyphenyl)methyl)piperazine ethanedioate (1:2); LS-113450; Piperazine, 1-(2-pyridinyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, ethanedioate (1:2) 1-(2-Pyridinyl)-4-((3,4,5-trimet…

Find On: PubMed — Wikipedia — Google

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) 2.06 5.62 -37.52 1 6 1 48 344.435 6 ↓
Mid Mid (pH 6-8) 2.06 7.72 -49.47 1 6 1 48 344.435 6 ↓
Mid Mid (pH 6-8) 2.06 5.34 -10.45 0 6 0 47 343.427 6 ↓

Activity (Go SEA)

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