UCSF

ZINC31554140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 29 Yes

Popular Name: 2,2'-((2-(4-Piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-ethanol dihydrochloride; Ethanol, 2,2'-((2-(4-piperonyl-1-piperazinyl)-4-pyrimidinyl)imino)di-, dihydrochloride; LS-67042 2,2'-((2-(4-Piperonyl-1-piperazi…

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) 1.11 4.01 -12.23 2 9 0 94 401.467 8 ↓
Mid Mid (pH 6-8) 1.11 6.23 -49.64 3 9 1 96 402.475 8 ↓
Mid Mid (pH 6-8) 1.11 6.57 -104.68 4 9 2 97 403.483 8 ↓
Mid Mid (pH 6-8) 1.11 4.34 -36.45 3 9 1 96 402.475 8 ↓

Activity (Go SEA)

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