UCSF

ZINC66157156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 41 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) 3.73 11.08 -17.55 1 9 0 113 575.687 10
Lo Low (pH 4.5-6) 3.73 12.01 -49.72 2 9 1 118 576.695 10

Activity (Go SEA)

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

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