UCSF

ZINC03884052

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 22 Yes

Popular Name: (4-aminophenyl)[4-(2-fluorophenyl)piperazino]methanone (4-aminophenyl)[4-(2-fluoropheny…

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CAS Numbers: 885949-71-3 , [885949-71-3]

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) 1.69 -2.95 -10.43 2 4 0 49 299.349 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 161 KeyOrganics
MP 161° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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