UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N5-[(3R)-2-oxoazepan-3-yl]pyridine-2,5-dicarboxamide N5-[(3R)-2-oxoazepan-3-yl]pyridi…

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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) -1.22 -1.01 -20 4 7 0 114 276.296 3 ↓

Analogs

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Popular Name: N5-[(3S)-2-oxoazepan-3-yl]pyridine-2,5-dicarboxamide N5-[(3S)-2-oxoazepan-3-yl]pyridi…

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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) -1.22 -1.78 -16.04 4 7 0 114 276.296 3 ↓

Analogs

45850433
45850433
46859261
46859261
46859262
46859262
48326034
48326034
48326035
48326035

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Popular Name: 2-methylsulfanyl-N-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxamide 2-methylsulfanyl-N-[(3S)-2-oxoaz…

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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) 0.78 2.56 -16.44 2 5 0 71 279.365 3 ↓

Analogs

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Popular Name: N-[(3S)-2-oxoazepan-3-yl]-2-pentylsulfanyl-pyridine-3-carboxamide N-[(3S)-2-oxoazepan-3-yl]-2-pent…

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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) 2.73 5.79 -16.14 2 5 0 71 335.473 7 ↓

Analogs

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Popular Name: 6-methoxy-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-carboxamide 6-methoxy-N-[(3R)-2-oxoazepan-3-…

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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) 0.29 0.66 -16.42 2 6 0 80 263.297 3 ↓

Analogs

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Popular Name: 6-methoxy-N-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxamide 6-methoxy-N-[(3S)-2-oxoazepan-3-…

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) 0.29 -0.11 -13.55 2 6 0 80 263.297 3 ↓

Parameters Provided:

ring.id = 65674
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 = 65674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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