UCSF

ZINC48781678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 Yes

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) -0.43 6.14 -37.25 2 6 1 68 277.348 6
Mid Mid (pH 6-8) -0.43 5.23 -9.78 1 6 0 67 276.34 6

Activity (Go SEA)

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