UCSF

ZINC89221436

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2013 31 Yes

CAS Numbers: 17056-99-4 , [17056-99-4]

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
Hi High (pH 8-9.5) 0.87 4.06 -97.77 7 9 2 135 421.505 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

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