UCSF

ZINC20130171

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Popular Name: 4-[(4-Methyl-1-piperazinyl)methyl]benzylamine 4-[(4-Methyl-1-piperazinyl)methy…

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CAS Number: 515162-20-6

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) 0.82 3.94 -86 4 3 2 35 221.348 3 ↓
Mid Mid (pH 6-8) 0.82 3.81 -90.21 4 3 2 35 221.348 3 ↓
Mid Mid (pH 6-8) 0.82 1.47 -45.67 3 3 1 34 220.34 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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