UCSF

ZINC56897691

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 41 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) 2.94 7.6 -55.59 3 10 1 136 582.755 6
Hi High (pH 8-9.5) 2.94 5.19 -24.26 2 10 0 135 581.747 6

Activity (Go SEA)

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

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