UCSF

ZINC66166049

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) 4.05 11.88 -23.8 1 9 0 113 575.687 10
Lo Low (pH 4.5-6) 4.05 12.78 -56.98 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.