UCSF

ZINC43699890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -2.23 2.97 -74.88 4 5 1 75 216.305 5
Hi High (pH 8-9.5) -2.23 2.31 -56.81 3 5 0 74 215.297 5
Hi High (pH 8-9.5) -2.23 0.02 -41.54 2 5 -1 73 214.289 5
Hi High (pH 8-9.5) -2.23 0.71 -33.02 3 5 0 74 215.297 5

Activity (Go SEA)

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