UCSF

ZINC71566204

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 34 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) 8.50 18.43 -10.85 1 4 0 46 457.662 4
Mid Mid (pH 6-8) 8.50 18.94 -31.73 2 4 1 48 458.67 4

Activity (Go SEA)

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

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