UCSF

ZINC31994669

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.83 1.38 -105.63 5 4 2 61 250.342 2
Hi High (pH 8-9.5) 0.83 2.16 -109.3 4 4 1 64 249.334 2
Hi High (pH 8-9.5) 0.83 0.74 -52.26 3 4 0 60 248.326 2
Hi High (pH 8-9.5) 0.83 -0.04 -38.74 4 4 1 57 249.334 2

Activity (Go SEA)

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