UCSF

ZINC55045569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 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 8.9 -129.68 1 5 0 85 250.274 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 170-173? Alfa-Aesar
Melting_Point 170-173° Alfa-Aesar

Activity (Go SEA)

Rings

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