UCSF

ZINC43411079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) -1.83 -1.2 -91.1 6 6 2 90 232.328 6
Hi High (pH 8-9.5) -1.65 -2.48 -81.01 5 6 1 97 231.32 6
Hi High (pH 8-9.5) -1.65 -2.32 -89.61 5 6 1 97 231.32 6

Activity (Go SEA)

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