UCSF

ZINC48417318

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 20 No

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) -0.80 2.92 -69.75 2 6 1 91 300.404 4
Mid Mid (pH 6-8) -0.80 0.67 -22.79 1 6 0 90 299.396 4

Activity (Go SEA)

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