UCSF

ZINC43700265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -0.64 5.35 -35.84 3 4 0 71 228.336 5
Mid Mid (pH 6-8) -0.64 3.76 -32.56 3 4 0 71 228.336 5
Mid Mid (pH 6-8) -0.64 5.64 -69.37 4 4 1 72 229.344 5

Activity (Go SEA)

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