UCSF

ZINC25502581

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) 4.32 9.79 -12.05 2 5 0 67 339.37 5
Hi High (pH 8-9.5) 4.78 8.15 -50.14 1 5 -1 70 338.362 5

Activity (Go SEA)

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