UCSF

ZINC49409784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 Yes

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) 3.22 3.94 -45.98 0 8 -1 94 404.859 2
Lo Low (pH 4.5-6) 2.77 5.83 -10.18 1 8 0 91 405.867 2

Activity (Go SEA)

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

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