UCSF

ZINC01399417

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 28 Yes

Popular Name: 2-[(E)-2-(dimethylamino)ethenyl]-4-(2-fluorophenyl)-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile 2-[(E)-2-(dimethylamino)ethenyl]…

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CAS Number: 866131-93-3

Other Names:

MFCD03617741

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.54 4.69 -47.21 1 4 1 58 370.407 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 300 KeyOrganics

Activity (Go SEA)

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

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