UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2 (5S,6S)-3-[(3-amino-4-pyridyl)su…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 -0.39 -68.83 3 7 -1 120 334.377 4 ↓
Lo Low (pH 4.5-6) 0.19 0.06 -80.98 4 7 0 121 335.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2 (5S,6R)-3-[(3-amino-4-pyridyl)su…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 -1.05 -60.24 3 7 -1 120 334.377 4 ↓
Lo Low (pH 4.5-6) 0.19 -0.6 -72.66 4 7 0 121 335.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2 (5R,6S)-3-[(3-amino-4-pyridyl)su…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 -0.78 -67.3 3 7 -1 120 334.377 4 ↓
Lo Low (pH 4.5-6) 0.19 -0.34 -81.61 4 7 0 121 335.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-3-[(3-amino-4-pyridyl)sulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2 (5R,6R)-3-[(3-amino-4-pyridyl)su…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.19 -0.39 -68.7 3 7 -1 120 334.377 4 ↓
Lo Low (pH 4.5-6) 0.19 0.06 -81.3 4 7 0 121 335.385 4 ↓

Parameters Provided:

ring.id = 195015
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 195015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=195015&filter.purchasability=annotated

Embed Link to Results