UCSF

ZINC33711813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 5.04 9.96 -24.49 2 7 0 83 470.982 5
Mid Mid (pH 6-8) 5.04 10.37 -38.54 3 7 1 85 471.99 5

Activity (Go SEA)

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