UCSF

ZINC40125009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 No

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) 0.87 2.92 -57.21 1 8 -1 110 403.436 6
Lo Low (pH 4.5-6) 0.87 2.01 -18.33 2 8 0 107 404.444 6

Activity (Go SEA)

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