UCSF

ZINC40767432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 34 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) 4.81 15.33 -9.11 1 3 0 46 442.562 5
Lo Low (pH 4.5-6) 4.81 14.77 -33.58 2 3 1 47 443.57 5
Lo Low (pH 4.5-6) 4.81 15.36 -33.74 2 3 1 47 443.57 5
Lo Low (pH 4.5-6) 4.81 14.77 -79.11 3 3 2 49 444.578 5

Activity (Go SEA)

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