UCSF

ZINC47294913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 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) 0.85 0.44 -25.86 4 7 0 110 274.28 4
Hi High (pH 8-9.5) 0.85 1.45 -73.4 3 7 -1 113 273.272 4

Activity (Go SEA)

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