UCSF

ZINC55118099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.56 6.13 -58.39 3 6 1 85 348.398 5
Mid Mid (pH 6-8) 0.56 3.71 -14.68 2 6 0 84 347.39 5

Activity (Go SEA)

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