UCSF

ZINC62939360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 11 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) -1.00 1.09 -57.39 4 6 1 83 155.185 2
Hi High (pH 8-9.5) -1.00 0.79 -9.67 3 6 0 82 154.177 2

Activity (Go SEA)

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

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