UCSF

ZINC37824927

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.03 2.79 -88.15 5 5 2 73 273.421 6
Mid Mid (pH 6-8) -0.03 2.25 -32.94 4 5 1 71 272.413 6

Activity (Go SEA)

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