UCSF

ZINC04877712

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.50 5.15 -50.77 2 7 -1 97 240.25 3
Mid Mid (pH 6-8) 0.50 5.6 -45.15 3 7 0 98 241.258 3

Activity (Go SEA)

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

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