UCSF

ZINC54824193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) 1.38 4.36 -7.36 1 3 0 49 201.273 3
Lo Low (pH 4.5-6) 1.38 5.58 -46.56 2 3 1 53 202.281 3
Lo Low (pH 4.5-6) 1.38 4.77 -35.84 2 3 1 50 202.281 3

Activity (Go SEA)

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

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