UCSF

ZINC16248870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 16 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) 3.30 8.7 -47.09 0 2 -1 40 223.336 2
Lo Low (pH 4.5-6) 3.30 7.58 -5.98 1 2 0 37 224.344 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 200? Alfa-Aesar
Melting_Point 200° Alfa-Aesar

Activity (Go SEA)

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