UCSF

ZINC40772116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 0.97 4.67 -129.72 5 5 2 67 270.421 4
Mid Mid (pH 6-8) 0.97 2.43 -50.18 4 5 1 66 269.413 4
Mid Mid (pH 6-8) 0.97 3.48 -42.67 4 5 1 63 269.413 4

Activity (Go SEA)

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

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