UCSF

ZINC08217789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 33 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
Lo Low (pH 4.5-6) -3.65 -2.94 -194.74 6 18 -2 289 513.249 10
Lo Low (pH 4.5-6) -3.65 -7.31 -196.58 6 18 -2 289 513.249 10

Activity (Go SEA)

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

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