UCSF

ZINC00967180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 9 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) 1.99 4.62 -3.83 0 1 0 13 121.183 1
Lo Low (pH 4.5-6) 1.99 4.9 -28.78 1 1 1 14 122.191 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 195-196? Alfa-Aesar
Boiling_Point 195-196° Alfa-Aesar

Activity (Go SEA)

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