UCSF

ZINC35884870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 20 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) 2.31 4.82 -47.32 2 4 1 38 277.388 4
Mid Mid (pH 6-8) 2.31 5.66 -103.71 3 4 2 40 278.396 4

Activity (Go SEA)

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