UCSF

ZINC29226056

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 25 No

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) -3.51 3.66 -42.98 2 7 1 71 347.439 5
Mid Mid (pH 6-8) -3.51 6.18 -118.85 3 7 2 72 348.447 5

Activity (Go SEA)

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