UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(2-furyl)-2-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1H-pyridine-3-carboxamide 6-(2-furyl)-2-oxo-N-[2-oxo-2-(pr…

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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) 0.31 1.56 -16.25 3 7 0 104 299.286 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-6-(2-furyl)-N-isopropyl-2-oxo-1H-pyridine-3-carboxamide N-(2-cyanoethyl)-6-(2-furyl)-N-i…

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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) 0.44 5.83 -14.27 1 6 0 90 299.33 5 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(2-acetamidoethyl)-6-(2-furyl)…

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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) -0.31 0.91 -16.91 3 7 0 104 289.291 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(2-cyanoethyl)-N-(2,2-dimethyl…

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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) 1.47 7.02 -15.5 1 6 0 90 327.384 6 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-isopentyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-isopentyl-2-oxo-1H…

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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) 2.19 4.62 -11.07 2 5 0 75 274.32 5 ↓

Analogs

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Popular Name: N-(1-ethylpropyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(1-ethylpropyl)-6-(2-furyl)-2-…

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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) 2.28 4.97 -10.35 2 5 0 75 274.32 5 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-[(1R)-1-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-[(1R)-1-methylprop…

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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) 1.75 4.34 -11.26 2 5 0 75 260.293 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-[(1S)-1-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-[(1S)-1-methylprop…

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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) 1.75 4.33 -11.22 2 5 0 75 260.293 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide 6-(2-furyl)-2-oxo-N-pentyl-1H-py…

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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) 2.48 4.89 -11.16 2 5 0 75 274.32 6 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-(3-methoxypropyl)-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-(3-methoxypropyl)-…

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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) 0.80 2.4 -12.15 2 6 0 84 276.292 6 ↓

Analogs

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Popular Name: N-allyl-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-allyl-6-(2-furyl)-2-oxo-1H-pyr…

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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) 1.18 3.11 -11.41 2 5 0 75 244.25 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-isobutyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-isobutyl-2-oxo-1H-…

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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) 1.66 4.09 -11.21 2 5 0 75 260.293 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide 6-(2-furyl)-2-oxo-N-propyl-1H-py…

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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) 1.42 3.33 -11.33 2 5 0 75 246.266 4 ↓

Analogs

43404319
43404319
43404322
43404322

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Popular Name: 6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-2-oxo-1H-pyridine-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) 0.17 0.1 -12.17 3 5 0 89 204.185 2 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-[2-(methylamino)-2-oxo-ethyl]-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-[2-(methylamino)-2…

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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) 0.15 0.22 -17.14 3 7 0 104 275.264 4 ↓

Analogs

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Popular Name: N-tert-butyl-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-tert-butyl-6-(2-furyl)-2-oxo-1…

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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) 1.73 3.9 -10.65 2 5 0 75 260.293 3 ↓

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(1,1-dimethylpropyl)-6-(2-fury…

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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) 2.23 4.41 -10.59 2 5 0 75 274.32 4 ↓

Analogs

43404322
43404322

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Popular Name: 6-(2-furyl)-N-methoxy-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-methoxy-2-oxo-1H-p…

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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) 0.50 2.71 -14.47 2 6 0 84 234.211 3 ↓
Hi High (pH 8-9.5) 0.57 2.21 -66.67 1 6 -1 91 233.203 3 ↓

Analogs

43404322
43404322

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Popular Name: 6-(2-furyl)-N,N-dimethyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N,N-dimethyl-2-oxo-1…

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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) 0.31 3.23 -18.38 1 5 0 66 232.239 2 ↓

Analogs

43404322
43404322

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Popular Name: 6-(2-furyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-methyl-2-oxo-1H-py…

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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) 0.54 1.74 -11.6 2 5 0 75 218.212 2 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(2-ethoxyethyl)-6-(2-furyl)-2-…

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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) 0.90 2.63 -12.77 2 6 0 84 276.292 6 ↓

Analogs

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Popular Name: 1-[[6-(2-furyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-3-methyl-urea 1-[[6-(2-furyl)-2-oxo-1H-pyridin…

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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) -0.05 0.01 -14.64 4 8 0 116 276.252 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(cyanomethyl)-N-ethyl-6-(2-fur…

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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) 0.47 4.86 -17.31 1 6 0 90 271.276 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-methoxy-N-methyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-methoxy-N-methyl-2…

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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) 0.74 3.09 -15.8 1 6 0 76 248.238 3 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-6-(2-furyl)-2-oxo-1H-pyridine-3-carboxamide N-(2-bromoallyl)-6-(2-furyl)-2-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) 1.65 3.73 -11.86 2 5 0 75 323.146 4 ↓

Analogs

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Popular Name: 6-(2-furyl)-N-isobutyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide 6-(2-furyl)-N-isobutyl-N-methyl-…

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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) 1.44 5.52 -17 1 5 0 66 274.32 4 ↓

Parameters Provided:

ring.id = 15904
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 = 15904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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