UCSF

ZINC56874877

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 22 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) -3.61 -4.96 -302.85 12 8 4 147 322.45 5
Hi High (pH 8-9.5) -3.61 -5.78 -42.83 9 8 1 140 319.426 5
Hi High (pH 8-9.5) -3.61 -6.54 -124.6 10 8 2 141 320.434 5
Mid Mid (pH 6-8) -3.61 -6.23 -200.76 11 8 3 143 321.442 5

Activity (Go SEA)

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

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