UCSF

ZINC25498751

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 No

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) 5.62 7.87 -52.63 1 8 -1 124 426.474 7
Mid Mid (pH 6-8) 5.17 10.45 -36.27 1 8 -1 124 426.474 7
Mid Mid (pH 6-8) 5.17 9.66 -20.74 2 8 0 121 427.482 7

Activity (Go SEA)

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