UCSF

ZINC20266673

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 Yes

Popular Name: 1-(2-Chloro-6-fluoro-benzyl)-piperidin-4-ylamine hydrochloride 1-(2-Chloro-6-fluoro-benzyl)-pip…

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CAS Numbers: 1286264-88-7 , 1289385-36-9 , N/A

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) 1.75 3.47 -44.13 3 2 1 31 243.733 2 ↓
Mid Mid (pH 6-8) 1.75 5.47 -29.41 3 2 1 30 243.733 2 ↓
Mid Mid (pH 6-8) 1.75 5.78 -101.29 4 2 2 32 244.741 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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