UCSF

ZINC16958021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 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) 0.80 1.6 -44.67 1 6 -1 90 208.226 2
Mid Mid (pH 6-8) 0.74 3.45 -44.08 1 6 -1 82 208.226 2
Mid Mid (pH 6-8) 0.74 3.45 -12.06 2 6 0 84 209.234 2
Lo Low (pH 4.5-6) 0.80 1.69 -120.8 0 6 -2 88 207.218 2
Lo Low (pH 4.5-6) 0.74 3.57 -6.68 2 6 0 84 209.234 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.