UCSF

ZINC52819945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 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) 1.56 4.87 -41.3 3 8 1 109 338.384 6
Hi High (pH 8-9.5) 1.75 3.38 -32.37 2 8 0 115 337.376 6

Activity (Go SEA)

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