UCSF

ZINC22288819

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) 1.46 5.38 -19.31 1 5 0 54 295.342 2
Mid Mid (pH 6-8) 1.46 6.75 -60.59 2 5 1 59 296.35 2

Activity (Go SEA)

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