UCSF

ZINC20219254

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 26 Yes

Popular Name: N-[6-(4-methylpiperazino)-3-pyridinyl]-4-(trifluoromethyl)benzenecarboxamide N-[6-(4-methylpiperazino)-3-pyri…

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CAS Number: 439094-95-8

Other Names:

MFCD03012852

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) 2.99 9.2 -43.91 2 5 1 50 365.379 4 ↓
Mid Mid (pH 6-8) 2.99 6.86 -9.89 1 5 0 48 364.371 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 216 - 218 KeyOrganics

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