UCSF

ZINC22863131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 Yes

Popular Name: 3-(4-(beta-Methoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone dihydrochloride; LS-125401; Propiophenone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride 3-(4-(beta-Methoxyphenethyl)-1-p…

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) 3.69 11.05 -43.2 1 4 1 34 367.513 8 ↓
Mid Mid (pH 6-8) 3.69 10.72 -43.39 1 4 1 34 367.513 8 ↓
Mid Mid (pH 6-8) 3.69 8.75 -8.31 0 4 0 33 366.505 8 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.