UCSF

ZINC72194394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 19 Yes

Popular Name: 4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline 4-((4-Methylpiperazin-1-yl)methy…

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CAS Numbers: 694499-26-8 , [694499-26-8]

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) 1.53 5.84 -34.8 3 3 1 34 274.31 3 ↓
Hi High (pH 8-9.5) 1.53 3.47 -4.31 2 3 0 32 273.302 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.