UCSF

ZINC09805154

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 35 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) 4.28 12.01 -21.72 1 7 0 83 497.613 10
Mid Mid (pH 6-8) 4.40 -0.54 -12.77 0 7 0 83 497.613 10
Mid Mid (pH 6-8) 4.40 1 -19.6 0 7 0 83 497.613 10
Mid Mid (pH 6-8) 4.24 -0.31 -13.44 0 7 0 83 497.613 10

Activity (Go SEA)

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