UCSF

ZINC02155165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 No

Popular Name: diethyl 2-[(4-fluoroanilino)methylene]malonate diethyl 2-[(4-fluoroanilino)meth…

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CAS Numbers: 26832-96-2 , [26832-96-2]

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) 2.55 4.21 -7.71 1 5 0 64 281.283 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 71 - 73 KeyOrganics

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

No pre-computed analogs available. Try a structural similarity search.