UCSF

ZINC69684335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 18 No

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) -0.64 -2.43 -20.67 2 7 0 112 293.37 5
Hi High (pH 8-9.5) -0.64 -1.96 -47.36 1 7 -1 110 292.362 5

Activity (Go SEA)

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

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