UCSF

ZINC17989259

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 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) 2.18 10.54 -14.75 1 11 0 129 483.525 11
Mid Mid (pH 6-8) 2.18 10.98 -43.89 2 11 1 130 484.533 11

Activity (Go SEA)

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