UCSF

ZINC54053545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 18 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) -0.87 6.75 -65.87 1 6 0 68 257.334 4
Mid Mid (pH 6-8) -0.87 4.48 -47.71 0 6 -1 67 256.326 4

Activity (Go SEA)

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