UCSF

ZINC16750853

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 34 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) 3.44 7.83 -14.8 2 8 0 113 483.521 7
Mid Mid (pH 6-8) 2.86 8.5 -18.77 1 8 0 110 483.521 7

Activity (Go SEA)

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