UCSF

ZINC25843249

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 33 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) 2.57 8.46 -17.81 2 8 0 101 479.635 5
Mid Mid (pH 6-8) 2.57 8.83 -41.22 3 8 1 102 480.643 5

Activity (Go SEA)

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