UCSF

ZINC19260270

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 16 Yes

Popular Name: 2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethylamine 2-(4-Methyl-piperazin-1-yl)-1-ph…

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CAS Number: 775349-54-7

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) -0.65 4.85 -101.05 4 3 2 35 221.348 3 ↓
Hi High (pH 8-9.5) -0.65 2.09 -2.11 2 3 0 32 219.332 3 ↓
Mid Mid (pH 6-8) -0.65 4.03 -34.02 3 3 1 34 220.34 3 ↓
Mid Mid (pH 6-8) -0.65 2.38 -43.51 3 3 1 34 220.34 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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