UCSF

ZINC19736975

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Substance Information

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

Popular Name: N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine N-methyl-3-(4-methylpiperazin-1-…

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CAS Numbers: 864244-66-6 , 877-96-3 , [864244-66-6]

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) 0.29 2.85 -85.51 3 3 2 24 173.304 4 ↓
Mid Mid (pH 6-8) 0.29 2.77 -101.17 3 3 2 24 173.304 4 ↓
Mid Mid (pH 6-8) 0.29 0.37 -39.46 2 3 1 23 172.296 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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