UCSF

ZINC69073283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 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) -0.77 5.81 -65.99 1 7 -1 99 255.25 5
Hi High (pH 8-9.5) -0.58 2.76 -126.02 0 7 -2 105 254.242 5
Hi High (pH 8-9.5) -0.58 3.71 -139.52 0 7 -2 105 254.242 5

Activity (Go SEA)

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

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