UCSF

ZINC40447975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 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) -0.58 5.27 -29.51 1 4 0 48 226.32 2
Mid Mid (pH 6-8) -0.58 6.09 -71.98 1 4 0 48 226.32 2
Lo Low (pH 4.5-6) -0.58 7.66 -82.88 2 4 1 49 227.328 2

Activity (Go SEA)

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