UCSF

ZINC31946856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.50 1.17 -56.5 5 6 1 102 295.388 4
Hi High (pH 8-9.5) 0.50 0.79 -13.11 4 6 0 101 294.38 4
Hi High (pH 8-9.5) 0.96 -0.87 -79.55 4 6 0 106 294.38 4

Activity (Go SEA)

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