UCSF

ZINC43347245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 17 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) -0.35 -0.48 -43.77 4 4 1 64 236.339 4
Hi High (pH 8-9.5) -0.35 -0.8 -4.71 3 4 0 62 235.331 4
Mid Mid (pH 6-8) -0.35 1.11 -31.71 4 4 1 64 236.339 4
Mid Mid (pH 6-8) -0.35 1.42 -107.65 5 4 2 65 237.347 4

Activity (Go SEA)

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