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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-acetamido-N-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]benzamide 2-acetamido-N-[[1-[(E)-but-2-eny…

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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) 1.82 8.2 -48.3 3 5 1 63 328.436 6 ↓
Mid Mid (pH 6-8) 1.82 5.9 -9.85 2 5 0 61 327.428 6 ↓

Analogs

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Popular Name: N-[[1-[(E)-but-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-4-ethoxy-N-methyl-benzamide N-[[1-[(E)-but-2-enyl]-3,6-dihyd…

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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) 2.85 10.71 -33.11 1 4 1 34 329.464 7 ↓
Mid Mid (pH 6-8) 2.85 8.42 -9.87 0 4 0 33 328.456 7 ↓

Analogs

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Popular Name: N-[[1-(2-amino-2-oxo-ethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]-3-methoxy-benzamide N-[[1-(2-amino-2-oxo-ethyl)-3,6-…

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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) 0.51 2.85 -51.35 4 6 1 86 304.37 6 ↓
Mid Mid (pH 6-8) 0.51 0.61 -15.28 3 6 0 85 303.362 6 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propyl]-2-(trifluoromethyl)benzamide N-[(1S)-2-methyl-1-(1-methyl-3,6…

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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) 3.71 9.59 -53 2 3 1 34 341.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propyl]-2-(trifluoromethyl)benzamide N-[(1R)-2-methyl-1-(1-methyl-3,6…

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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) 3.71 9.5 -52.81 2 3 1 34 341.397 5 ↓

Parameters Provided:

ring.id = 408537
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 = 408537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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