UCSF

ZINC59415914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 22 Yes

Popular Name: (5R,6R)-6-(1-hydroxy-1-methyl-ethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-oxo-1-azabicyclo (5R,6R)-6-(1-hydroxy-1-methyl-et…

Find On: PubMed — Wikipedia — Google

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) 0.45 0.7 -63.02 1 7 -1 106 340.406 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0090366A1; US4640915 IBM Patent Data

Activity (Go SEA)

Rings

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

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