UCSF

ZINC15423796

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 18 Yes

Popular Name: 1-[4-(Trifluoromethyl)benzyl]piperidin-4-amine 1-[4-(Trifluoromethyl)benzyl]pip…

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CAS Numbers: 149401-02-5 , [149401-02-5]

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) 1.90 4.22 -45.9 3 2 1 31 259.295 3 ↓
Mid Mid (pH 6-8) 1.90 6.22 -42.2 3 2 1 30 259.295 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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