UCSF

ZINC54419431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 18 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) 0.11 2.42 -41.57 5 5 1 87 249.338 4
Hi High (pH 8-9.5) 0.11 2.03 -9.81 4 5 0 85 248.33 4

Activity (Go SEA)

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

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