UCSF

ZINC60210786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 34 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) 4.27 10.52 -16.56 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.43 9.09 -13.98 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.85 9.88 -60.4 0 8 -1 106 480.518 6
Mid Mid (pH 6-8) 4.45 9.77 -21.66 0 8 0 101 481.526 6

Activity (Go SEA)

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