UCSF

ZINC43075155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 22 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) 0.25 6.09 -20.77 1 7 0 81 297.318 4
Lo Low (pH 4.5-6) 0.25 6.55 -51.65 2 7 1 83 298.326 4

Activity (Go SEA)

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