UCSF

ZINC19736976

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 Yes

Popular Name: N-Ethyl-3-(4-methyl-1-piperazinyl)-1-propanamine N-Ethyl-3-(4-methyl-1-piperaziny…

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CAS Numbers: 224456-89-7 , [224456-89-7]

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) 0.32 3.69 -85.27 3 3 2 24 187.331 5 ↓
Mid Mid (pH 6-8) 0.32 3.61 -101.82 3 3 2 24 187.331 5 ↓
Mid Mid (pH 6-8) 0.32 1.21 -38.64 2 3 1 23 186.323 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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