UCSF

ZINC25491193

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 21 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) 3.20 8.37 -8.37 4 4 0 78 276.343 3
Mid Mid (pH 6-8) 3.20 8.83 -26.9 5 4 1 79 277.351 3

Activity (Go SEA)

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