UCSF

ZINC48822793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 Yes

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) 0.74 4.62 -88.73 3 6 0 89 285.25 2
Mid Mid (pH 6-8) 0.74 3.29 -56.45 2 6 -1 84 284.242 2

Activity (Go SEA)

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