UCSF

ZINC71755581

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2011 13 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) -2.77 -6.4 -45.12 4 7 -1 130 193.131 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 134-138? Alfa-Aesar
Melting_Point 134-138° Alfa-Aesar

Activity (Go SEA)

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

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