UCSF

ZINC17989074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 24 No

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) 1.69 5.08 -38.22 2 7 1 83 335.428 7
Mid Mid (pH 6-8) 1.69 5.91 -106.77 3 7 2 85 336.436 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.