UCSF

ZINC25497973

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 6.23 10.01 -50.37 0 3 -1 49 349.479 6
Mid Mid (pH 6-8) 5.77 10.87 -14.44 1 3 0 46 350.487 6

Activity (Go SEA)

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