UCSF

ZINC16044738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2008 17 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) -0.09 5.27 -12.68 1 5 0 60 230.271 5
Mid Mid (pH 6-8) -0.09 5.78 -38.64 2 5 1 61 231.279 5

Activity (Go SEA)

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