UCSF

ZINC49942700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 28 No

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) 8.62 16.54 -0.37 0 0 0 0 405.11 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 94-96? Alfa-Aesar
Melting_Point 94-96° Alfa-Aesar

Activity (Go SEA)

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

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