UCSF

ZINC59080613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 33 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) -1.56 4.73 -98.66 10 11 2 189 461.567 12
Mid Mid (pH 6-8) -1.56 4.33 -52.65 9 11 1 188 460.559 12

Activity (Go SEA)

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