UCSF

ZINC49767861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 30 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) 3.64 4.65 -10.66 3 5 0 87 422.606 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 155-156? Alfa-Aesar
Melting_Point 155-156° Alfa-Aesar

Activity (Go SEA)

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

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