UCSF

ZINC04251746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 2.50 -4.92 -12.25 3 6 0 85 359.842 5
Mid Mid (pH 6-8) 2.50 -4.68 -38.94 4 6 1 87 360.85 5

Activity (Go SEA)

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