UCSF

ZINC20859573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 3.92 5.94 -21.6 2 5 0 71 340.404 4
Hi High (pH 8-9.5) 3.92 6.43 -111.62 0 5 -2 76 338.388 4
Mid Mid (pH 6-8) 3.92 5.5 -47.03 1 5 -1 74 339.396 4

Activity (Go SEA)

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