UCSF

ZINC21989970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.96 7.73 -9.33 0 4 0 42 248.326 2
Lo Low (pH 4.5-6) 2.96 8.19 -33.06 1 4 1 44 249.334 2

Activity (Go SEA)

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