UCSF

ZINC41584865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 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) 6.39 14.98 -47.38 2 5 1 58 517.649 6
Hi High (pH 8-9.5) 6.39 13.26 -44.37 0 5 -1 60 515.633 6
Mid Mid (pH 6-8) 6.39 14.95 -47.68 2 5 1 58 517.649 6
Mid Mid (pH 6-8) 6.39 15.56 -30.39 1 5 0 61 516.641 6
Mid Mid (pH 6-8) 6.39 12.69 -9.96 1 5 0 57 516.641 6

Activity (Go SEA)

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