UCSF

ZINC19391529

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 Yes

Popular Name: 1-(2-Fluoro-phenyl)-N1,N1-dimethyl-ethane-1,2-diamine 1-(2-Fluoro-phenyl)-N1,N1-dimeth…

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CAS Number: 842954-76-1

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) 0.84 2.43 -40.69 3 2 1 31 183.25 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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