UCSF

ZINC43391689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -0.39 -0.28 -56.04 4 5 1 87 274.222 3
Mid Mid (pH 6-8) -0.39 -0.77 -6 3 5 0 85 273.214 3

Activity (Go SEA)

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