UCSF

ZINC57987547

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.19 6.73 -48.79 3 5 1 69 309.34 4
Hi High (pH 8-9.5) 2.19 4.61 -13.58 2 5 0 68 308.332 4

Activity (Go SEA)

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

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