UCSF

ZINC71498806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 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) 0.70 5.41 -16.06 3 9 0 117 364.413 3
Ref Reference (pH 7) 0.70 5.38 -14.77 3 9 0 117 364.413 3
Lo Low (pH 4.5-6) 0.70 5.92 -36.44 4 9 1 118 365.421 3
Lo Low (pH 4.5-6) 0.70 5.93 -36.25 4 9 1 118 365.421 3

Activity (Go SEA)

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

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