UCSF

ZINC19365407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

Popular Name: 3-(4-Methyl-piperazin-1-yl)-propionic acid ethylester 3-(4-Methyl-piperazin-1-yl)-prop…

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CAS Numbers: 107027-47-4 , 7148-02-05 , 7148-05-2

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) 0.43 4.52 -38.31 1 4 1 34 201.29 5 ↓
Mid Mid (pH 6-8) 0.43 4.44 -38.71 1 4 1 34 201.29 5 ↓
Mid Mid (pH 6-8) 0.43 2.04 -5.2 0 4 0 33 200.282 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 74° Oakwood Chemical
Purity >98% Fluorochem

Activity (Go SEA)

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