UCSF

ZINC66583266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 18 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) 2.76 5.17 -121.81 0 5 -2 88 269.322 5
Mid Mid (pH 6-8) 2.76 5.11 -48.84 1 5 -1 86 270.33 5

Activity (Go SEA)

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