UCSF

ZINC37387411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 12 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) 1.17 0.71 -11.18 2 3 0 56 178.216 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 245-246? Alfa-Aesar
Melting_Point 245-246° Alfa-Aesar

Activity (Go SEA)

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