UCSF

ZINC42452956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.25 4.79 -13.78 2 4 0 55 224.333 5
Mid Mid (pH 6-8) 0.25 4.91 -32.8 3 4 1 56 225.341 5

Activity (Go SEA)

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