UCSF

ZINC04744538

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 25 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) 3.47 13.61 -111.8 2 5 2 55 341.455 6
Mid Mid (pH 6-8) 3.47 11.96 -40.85 1 5 1 53 340.447 6

Activity (Go SEA)

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