UCSF

ZINC39757851

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 4.08 7.6 -13.59 1 6 0 77 351.387 4
Hi High (pH 8-9.5) 4.15 5.73 -52.71 0 6 -1 84 350.379 4

Activity (Go SEA)

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