UCSF

ZINC58568879

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 28 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) 0.32 4.12 -21.63 3 11 0 142 418.339 10
Hi High (pH 8-9.5) 0.32 5.32 -62.31 2 11 -1 144 417.331 10
Hi High (pH 8-9.5) 0.50 1.89 -53.54 2 11 -1 148 417.331 10
Hi High (pH 8-9.5) 0.32 5.41 -74.76 2 11 -1 144 417.331 10
Hi High (pH 8-9.5) 0.50 1.98 -66.48 2 11 -1 148 417.331 10

Activity (Go SEA)

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

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