UCSF

ZINC22104290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 2.62 6.71 -35.39 2 2 1 16 255.332 3
Lo Low (pH 4.5-6) 2.62 6.93 -41.58 2 2 1 20 255.332 3

Activity (Go SEA)

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