UCSF

ZINC98073691

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 17 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) 5.06 8.36 -6.28 0 2 0 22 241.315 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 78-81? Alfa-Aesar
Melting_Point 78-81° Alfa-Aesar

Activity (Go SEA)

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

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