UCSF

ZINC43689286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 35 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) 2.47 7.66 -14.38 1 8 0 84 477.561 9
Mid Mid (pH 6-8) 2.47 9.88 -58.39 2 8 1 85 478.569 9

Activity (Go SEA)

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