UCSF

ZINC25498545

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) 5.09 10.75 -14.73 1 3 0 46 330.431 3
Hi High (pH 8-9.5) 5.54 9.91 -55.41 0 3 -1 49 329.423 3

Activity (Go SEA)

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