UCSF

ZINC08214701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 57 No

CAS Number: 555-44-2

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) 10.67 38.95 -9.43 0 6 0 79 807.339 50

Vendor Notes

Note Type Comments Provided By
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar

Activity (Go SEA)

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

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