UCSF

ZINC35566817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 24 No

CAS Number: 39219-28-8

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) 5.46 10.79 -3.78 0 2 0 18 328.496 3

Vendor Notes

Note Type Comments Provided By
Purity 98.5%-101.5% APIChem

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

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