UCSF

ZINC05515726

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 17 No

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) 1.46 3.29 -9.35 2 5 0 74 249.295 2
Hi High (pH 8-9.5) 1.46 4.06 -49.02 1 5 -1 77 248.287 2
Mid Mid (pH 6-8) 0.73 3.87 -18.28 2 5 0 71 249.295 3

Activity (Go SEA)

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