UCSF

ZINC04945530

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 18 Yes

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

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CAS Number: 330796-48-0

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) 1.83 6.16 -35.6 3 3 1 34 260.283 2 ↓
Mid Mid (pH 6-8) 1.83 3.81 -4.1 2 3 0 32 259.275 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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