UCSF

ZINC26892296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) -0.54 2.72 -82.56 3 5 0 88 240.284 2
Mid Mid (pH 6-8) -0.54 2.41 -57.07 2 5 -1 86 239.276 2

Activity (Go SEA)

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