UCSF

ZINC43412322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.39 6.36 -81.73 3 7 1 81 287.384 5
Mid Mid (pH 6-8) -0.39 4.25 -62.86 2 7 0 80 286.376 5

Activity (Go SEA)

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