UCSF

ZINC33838061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 33 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) 3.47 6.66 -105.43 0 10 -2 153 483.742 5
Lo Low (pH 4.5-6) 3.47 5.65 -46.27 1 10 -1 150 484.75 5

Activity (Go SEA)

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