UCSF

ZINC55507180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 29 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) 3.70 9.02 -12.32 1 6 0 80 424.913 4
Lo Low (pH 4.5-6) 3.70 8.98 -28.81 2 6 1 82 425.921 4

Activity (Go SEA)

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

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