UCSF

ZINC22239045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 22 Yes

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) 2.56 4.31 -15.06 3 5 0 77 293.326 3
Lo Low (pH 4.5-6) 2.56 4.72 -44.51 4 5 1 78 294.334 3

Activity (Go SEA)

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