UCSF

ZINC19237599

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

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) -2.25 7.06 -28.37 3 9 1 106 425.513 5
Mid Mid (pH 6-8) -2.25 9.39 -81.04 4 9 2 107 426.521 5

Activity (Go SEA)

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