UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15771977
15771977
15771979
15771979

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S,6R)-6-(benzotriazol-1-ylmethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c (2S,5S,6R)-6-(benzotriazol-1-ylm…

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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) 1.72 3.29 -49.47 1 8 -1 103 346.392 4 ↓

Analogs

15771977
15771977
15771979
15771979

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S,6R)-6-(benzotriazol-1-ylmethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c (2R,5S,6R)-6-(benzotriazol-1-ylm…

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) 1.72 3.05 -51.17 1 8 -1 103 346.392 4 ↓

Analogs

15771977
15771977
15771979
15771979

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R,6R)-6-(benzotriazol-1-ylmethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c (2S,5R,6R)-6-(benzotriazol-1-ylm…

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) 1.72 3.48 -53.29 1 8 -1 103 346.392 4 ↓

Analogs

15771977
15771977
15771979
15771979

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R,6R)-6-(benzotriazol-1-ylmethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-c (2R,5R,6R)-6-(benzotriazol-1-ylm…

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) 1.72 4.8 -57.09 1 8 -1 103 346.392 4 ↓

Parameters Provided:

ring.id = 580812
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 = 580812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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