UCSF

ZINC43253531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.85 5.54 -129.33 5 4 2 61 319.902 8
Hi High (pH 8-9.5) 2.85 3.7 -9.74 3 4 0 58 317.886 8
Mid Mid (pH 6-8) 2.85 5.2 -38.52 4 4 1 60 318.894 8
Mid Mid (pH 6-8) 2.85 3.96 -56.08 4 4 1 60 318.894 8

Activity (Go SEA)

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