UCSF

ZINC69508969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) -1.86 3.14 -44.07 1 5 -1 78 210.238 2
Lo Low (pH 4.5-6) -1.86 4.17 -26.94 2 5 0 83 211.246 2

Activity (Go SEA)

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

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