UCSF

ZINC57944924

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.40 5.33 -9.13 2 6 0 85 324.764 5
Hi High (pH 8-9.5) 2.58 4.54 -50.94 1 6 -1 91 323.756 5

Activity (Go SEA)

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

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