UCSF

ZINC43643061

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 15 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) 1.56 8.96 -44.86 1 2 1 28 201.293 5
Mid Mid (pH 6-8) 1.56 6.62 -6.55 0 2 0 27 200.285 5

Activity (Go SEA)

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