UCSF

ZINC57676501

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.74 2.1 -10.67 1 6 0 66 290.367 4
Mid Mid (pH 6-8) -0.74 2.82 -38.8 2 6 1 67 291.375 4
Lo Low (pH 4.5-6) -0.74 4.31 -44.75 2 6 1 67 291.375 4

Activity (Go SEA)

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