UCSF

ZINC62962334

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

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) -1.37 -1.37 -122.37 4 5 2 69 249.38 2
Hi High (pH 8-9.5) -1.37 -1.67 -47.04 3 5 1 68 248.372 2
Hi High (pH 8-9.5) -1.37 -4.08 -10.78 2 5 0 67 247.364 2
Mid Mid (pH 6-8) -1.37 -3.73 -63.17 3 5 1 68 248.372 2

Activity (Go SEA)

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

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