UCSF

ZINC00065173

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 18 Yes

Popular Name: 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline 2-(4-Methylpiperazin-1-yl)-5-(tr…

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CAS Numbers: 685853-98-9 , [685853-98-9]

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) 2.24 6.49 -39.19 3 3 1 34 260.283 2 ↓
Mid Mid (pH 6-8) 2.24 4.14 -2.36 2 3 0 32 259.275 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 150-153° Oakwood Chemical
melting_point 173 - 175 KeyOrganics
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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