UCSF

ZINC52212798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 12 No

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) -0.83 0.57 -5.87 1 5 0 72 168.152 1
Mid Mid (pH 6-8) -0.38 -2.15 -35.74 0 5 -1 75 167.144 1

Activity (Go SEA)

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