UCSF

ZINC41466571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) -1.35 7.99 -39.65 1 5 1 42 338.431 5
Mid Mid (pH 6-8) -1.35 10.5 -112.48 2 5 2 43 339.439 5

Activity (Go SEA)

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