UCSF

ZINC43278945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 24 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) 4.36 4.91 -39.42 5 4 1 77 338.512 14
Mid Mid (pH 6-8) 4.36 4.62 -5.63 4 4 0 76 337.504 14

Activity (Go SEA)

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