UCSF

ZINC12358700

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 Yes

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) 1.52 3.94 -9.91 0 3 0 39 171.221 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 54-56? Alfa-Aesar
Melting_Point 54-56° Alfa-Aesar

Activity (Go SEA)

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

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