UCSF

ZINC39266385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 39 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) 4.97 16.73 -81.86 3 6 2 58 532.773 10
Hi High (pH 8-9.5) 5.16 14.16 -46.31 2 6 1 65 531.765 10

Activity (Go SEA)

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