UCSF

ZINC19850779

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 Yes

Popular Name: [2-(4-METHYLPIPERAZINYL)-1-PHENYLETHYL]METHYLAMINE [2-(4-METHYLPIPERAZINYL)-1-PHENY…

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CAS Numbers: 256227-71-1 , 885950-68-5

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) 1.60 6.11 -93.35 3 3 2 24 235.375 4 ↓
Hi High (pH 8-9.5) 1.60 2.34 -2.11 1 3 0 19 233.359 4 ↓
Mid Mid (pH 6-8) 1.60 4.49 -29.66 2 3 1 20 234.367 4 ↓
Mid Mid (pH 6-8) 1.60 3.65 -42.22 2 3 1 23 234.367 4 ↓
Mid Mid (pH 6-8) 1.60 5.81 -113.67 3 3 2 24 235.375 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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