UCSF

ZINC22041042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: 1-Piperazineethanol, 4-(1-(4-methoxyphenyl)-3-phenylpropyl)-, (Z)-2-butenedioate (1:2); 4-(1-(4-Methoxyphenyl)-3-phenylpropyl)-1-piperazineethanol dimaleate; LS-112444 1-Piperazineethanol, 4-(1-(4-met…

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) 3.56 7.45 -39.54 2 4 1 37 355.502 8 ↓
Mid Mid (pH 6-8) 3.56 7.53 -37.5 2 4 1 37 355.502 8 ↓
Mid Mid (pH 6-8) 3.56 5.2 -6.95 1 4 0 36 354.494 8 ↓

Activity (Go SEA)

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