UCSF

ZINC08665105

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2007 22 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) -0.46 -0.92 -16.39 4 8 0 131 298.258 2
Hi High (pH 8-9.5) 0.45 -6.1 -88.37 2 8 -2 138 296.242 2
Mid Mid (pH 6-8) 0.00 -3.51 -52.63 3 8 -1 135 297.25 2

Activity (Go SEA)

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