UCSF

ZINC25992067

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 42 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) 2.66 4.71 -34.54 4 10 0 144 611.79 14
Hi High (pH 8-9.5) 2.66 6.18 -130.57 2 10 -2 149 609.774 14
Mid Mid (pH 6-8) 2.66 5.39 -84.33 3 10 -1 147 610.782 14
Mid Mid (pH 6-8) 2.66 5.39 -84.83 3 10 -1 147 610.782 14

Activity (Go SEA)

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