UCSF

ZINC57991452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 30 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) 2.65 8.08 -47.77 3 7 1 89 448.487 8
Mid Mid (pH 6-8) 2.65 6.06 -16.52 2 7 0 88 447.479 8

Activity (Go SEA)

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

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