UCSF

ZINC60021895

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 25 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) 2.58 7.94 -40.89 4 5 1 63 339.463 6
Mid Mid (pH 6-8) 2.58 5.72 -8 3 5 0 62 338.455 6
Mid Mid (pH 6-8) 2.58 5.61 -33.87 4 5 1 63 339.463 6

Activity (Go SEA)

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

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