UCSF

ZINC18022581

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 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) 5.66 10.8 -20.02 1 6 0 92 413.455 5
Mid Mid (pH 6-8) 6.12 9.56 -42.32 0 6 -1 95 412.447 5

Activity (Go SEA)

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