UCSF

ZINC54897166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 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) -0.51 5.07 -52.23 3 4 1 61 322.479 4
Hi High (pH 8-9.5) -0.51 4.67 -16.66 2 4 0 59 321.471 4
Lo Low (pH 4.5-6) -0.51 5.47 -119.7 4 4 2 62 323.487 4

Activity (Go SEA)

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

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