UCSF

ZINC21950203

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Popular Name: (S)-1-(2,6-Difluorophenyl)ethanamine hydrochloride (S)-1-(2,6-Difluorophenyl)ethana…

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CAS Numbers: 1217473-52-3 , 1309598-68-2 , 870849-40-4 , [1217473-52-3]

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) 0.03 3.32 -36.56 3 1 1 28 158.171 1 ↓
Hi High (pH 8-9.5) 0.03 2.99 -3.19 2 1 0 26 157.163 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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