UCSF

ZINC20551051

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 11 Yes

Popular Name: 4-(1-aminoethyl)-2-fluorophenol 4-(1-aminoethyl)-2-fluorophenol

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CAS Numbers: , 1030444-42-8

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) -0.32 0.46 -50.39 4 2 1 48 156.18 1 ↓
Mid Mid (pH 6-8) -0.32 1.18 -75.32 3 2 0 51 155.172 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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