UCSF

ZINC55084756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.94 1.07 -12.64 1 6 0 73 299.396 4
Hi High (pH 8-9.5) 1.40 -0.97 -45.59 0 6 -1 77 298.388 4
Mid Mid (pH 6-8) 0.94 2.94 -50.83 2 6 1 75 300.404 4

Activity (Go SEA)

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

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