UCSF

ZINC84397678

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2013 32 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) -2.79 -8.87 -18.75 8 11 0 191 449.388 4
Hi High (pH 8-9.5) -2.79 -8.12 -29.55 7 11 0 194 448.38 4

Activity (Go SEA)

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

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