UCSF

ZINC48390863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 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) 2.17 3.64 -12.38 2 6 0 95 250.254 4
Mid Mid (pH 6-8) 2.17 4.4 -33.96 1 6 -1 98 249.246 4

Activity (Go SEA)

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