UCSF

ZINC58754407

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2011 25 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) 2.58 3.47 -13.83 2 6 0 65 350.507 6
Lo Low (pH 4.5-6) 2.58 5.65 -41.02 3 6 1 66 351.515 6
Lo Low (pH 4.5-6) 2.58 5.58 -38.43 3 6 1 66 351.515 6

Activity (Go SEA)

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