UCSF

ZINC47991961

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.37 3.09 -19.73 2 6 0 92 388.898 5
Hi High (pH 8-9.5) 3.37 3.22 -115.71 0 6 -2 96 386.882 5
Hi High (pH 8-9.5) 3.37 3.07 -42.44 1 6 -1 94 387.89 5
Mid Mid (pH 6-8) 3.37 3.24 -42.36 1 6 -1 94 387.89 5

Activity (Go SEA)

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