UCSF

ZINC20616486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 26 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) -0.42 2.73 -13.29 2 8 0 102 350.382 6
Lo Low (pH 4.5-6) -0.42 3.17 -45.94 3 8 1 103 351.39 6
Lo Low (pH 4.5-6) -0.42 3.17 -47.37 3 8 1 103 351.39 6

Activity (Go SEA)

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