UCSF

ZINC19735724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 12 Yes

Popular Name: 1-(4-Methyl-piperazin-1-ylmethyl)-propylamine 1-(4-Methyl-piperazin-1-ylmethyl…

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CAS Numbers: 84630-63-7 , [84630-63-7]

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) -0.02 2.52 -93.04 4 3 2 35 173.304 3 ↓
Mid Mid (pH 6-8) -0.02 2 -119.91 4 3 2 35 173.304 3 ↓
Mid Mid (pH 6-8) -0.02 0.05 -39.33 3 3 1 34 172.296 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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