UCSF

ZINC36161167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.87 -0.04 -130.37 4 5 2 69 275.418 2
Hi High (pH 8-9.5) -0.87 -2.48 -57.82 3 5 1 68 274.41 2
Hi High (pH 8-9.5) -0.87 -0.29 -45.54 3 5 1 68 274.41 2

Activity (Go SEA)

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