UCSF

ZINC86862989

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 12 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) -2.15 -6.45 -13.25 4 5 0 98 182.147 5
Hi High (pH 8-9.5) -2.15 -5.74 -54.24 3 5 -1 101 181.139 5

Activity (Go SEA)

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

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