UCSF

ZINC66991687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 15 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) 1.46 2.15 -42.29 4 4 1 66 210.301 4
Hi High (pH 8-9.5) 1.46 0.71 -4.98 3 4 0 61 209.293 4
Hi High (pH 8-9.5) 1.46 0.72 -6.37 3 4 0 61 209.293 4
Mid Mid (pH 6-8) 1.46 2.14 -49.77 4 4 1 66 210.301 4

Activity (Go SEA)

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