UCSF

ZINC67955137

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 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) -0.74 6.34 -44.41 2 6 0 81 293.348 2
Hi High (pH 8-9.5) -0.74 4.11 -52.68 1 6 -1 79 292.34 2

Activity (Go SEA)

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

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