UCSF

ZINC54911246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) -0.07 -1.05 -14.41 1 5 0 71 248.329 2
Lo Low (pH 4.5-6) -0.07 -0.61 -41.81 2 5 1 72 249.337 2

Activity (Go SEA)

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

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