UCSF

ZINC05394174

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 14 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) 1.71 1.47 -20.85 0 4 0 56 225.298 2
Lo Low (pH 4.5-6) 1.71 1.88 -45.06 1 4 1 57 226.306 2

Vendor Notes

Note Type Comments Provided By
melting_point 53 - 56 KeyOrganics

Activity (Go SEA)

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