UCSF

ZINC28712045

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.45 -0.37 -68.79 3 10 -1 166 419.362 2
Mid Mid (pH 6-8) -0.45 0.58 -106.91 2 10 -2 169 418.354 2

Activity (Go SEA)

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