UCSF

ZINC51210993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.96 0.11 -13.67 1 7 0 67 324.425 5
Mid Mid (pH 6-8) -0.96 2.46 -40.95 2 7 1 69 325.433 5

Activity (Go SEA)

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