UCSF

ZINC42462995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.57 3.35 -44.14 3 4 1 57 249.334 2
Mid Mid (pH 6-8) -0.57 3.02 -6.97 2 4 0 56 248.326 2

Activity (Go SEA)

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