UCSF

ZINC86862115

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.49 5.68 -39.25 2 4 1 45 227.291 1
Lo Low (pH 4.5-6) -2.49 6.03 -207.29 4 4 3 48 229.307 1
Lo Low (pH 4.5-6) -2.49 5.72 -88.48 3 4 2 46 228.299 1

Activity (Go SEA)

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

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