UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11839423
11839423
39634803
39634803
39634804
39634804
39675786
39675786
39675787
39675787

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Popular Name: N-[(3S)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]-2-methylsulfanyl-pyridine-3-carboxamide N-[(3S)-1-(cyclohexylmethyl)-5-o…

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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) 2.54 -2.1 -17.19 1 5 0 62 347.484 5 ↓

Analogs

39634803
39634803
39634804
39634804
39675786
39675786
39675787
39675787
39675788
39675788

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Popular Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]-2-methylsulfanyl-pyridine-3-carboxamide N-[(3R)-1-(cyclohexylmethyl)-5-o…

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) 2.54 -2.09 -17.26 1 5 0 62 347.484 5 ↓

Analogs

12229105
12229105

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Popular Name: N-[(3S)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]-6-methyl-pyridine-3-carboxamide N-[(3S)-1-(cyclohexylmethyl)-5-o…

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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) 1.71 -1.83 -13.97 1 5 0 62 315.417 4 ↓

Analogs

12229099
12229099

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Popular Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]-6-methyl-pyridine-3-carboxamide N-[(3R)-1-(cyclohexylmethyl)-5-o…

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) 1.71 -1.83 -13.95 1 5 0 62 315.417 4 ↓

Parameters Provided:

ring.id = 58288
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 = 58288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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