UCSF

ZINC69698339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 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) 1.45 3.77 -12.37 1 6 0 70 352.818 2
Hi High (pH 8-9.5) 1.45 4.53 -44.36 0 6 -1 73 351.81 2

Activity (Go SEA)

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

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