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

Analogs

70616261
70616261
70616264
70616264
70616270
70616270
39980
39980

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-pyridinylsulfanyl)-2-furaldehyde 5-(2-pyridinylsulfanyl)-2-furald…

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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) 2.50 1.42 -13.57 0 3 0 43 205.238 3 ↓
Lo Low (pH 4.5-6) 2.50 1.03 -28.77 1 3 1 44 206.246 3 ↓

Analogs

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Popular Name: 5-[(3-cyano-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-cyano-2-pyridyl)sulfanyl]f…

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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) 1.99 5.04 -55.57 0 5 -1 90 245.239 3 ↓

Analogs

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Popular Name: 5-[(3-carbamoyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-carbamoyl-2-pyridyl)sulfan…

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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) 1.06 1.54 -64.63 2 6 -1 109 263.254 4 ↓

Analogs

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Popular Name: 5-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]furan-2-carboxylic 5-[[3-(trifluoromethyl)-2-pyridy…

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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) 3.13 5.61 -54.97 0 4 -1 66 288.226 4 ↓

Analogs

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Popular Name: 5-[(4-cyano-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(4-cyano-2-pyridyl)sulfanyl]f…

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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) 1.99 5.12 -54.78 0 5 -1 90 245.239 3 ↓

Analogs

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Popular Name: 5-[(3-cyano-5-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-cyano-5-nitro-2-pyridyl)su…

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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) 2.10 5.71 -51.61 0 8 -1 136 290.236 4 ↓

Analogs

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Popular Name: 5-[(3-methyl-5-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-methyl-5-nitro-2-pyridyl)s…

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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) 2.79 6 -60.19 0 7 -1 112 279.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-nitro-2-pyridyl)sulfanyl]f…

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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) 2.20 5.31 -55.38 0 7 -1 112 265.226 4 ↓

Analogs

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Popular Name: 5-[(6-ethoxy-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(6-ethoxy-2-pyridyl)sulfanyl]…

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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) 3.06 4.37 -54.12 0 5 -1 75 264.282 5 ↓

Analogs

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Popular Name: 5-[(4-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(4-nitro-2-pyridyl)sulfanyl]f…

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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) 2.20 5.45 -52.26 0 7 -1 112 265.226 4 ↓

Analogs

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Popular Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]furan-2-carboxylic 5-[[3-chloro-5-(trifluoromethyl)…

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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) 3.79 6.15 -52.76 0 4 -1 66 322.671 4 ↓

Analogs

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Popular Name: 5-[(6-methoxy-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(6-methoxy-2-pyridyl)sulfanyl…

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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) 2.68 3.51 -54.58 0 5 -1 75 250.255 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[6-(trifluoromethyl)-2-pyridyl]sulfanyl]furan-2-carboxylic 5-[[6-(trifluoromethyl)-2-pyridy…

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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) 3.25 5.72 -64.94 0 4 -1 66 288.226 4 ↓

Analogs

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Popular Name: 5-[(5-cyano-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(5-cyano-2-pyridyl)sulfanyl]f…

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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) 2.05 5.13 -58.9 0 5 -1 90 245.239 3 ↓

Analogs

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Popular Name: 5-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-cyano-4,6-dimethyl-2-pyrid…

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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) 2.81 6.14 -55.47 0 5 -1 90 273.293 3 ↓

Analogs

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Popular Name: 5-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-cyano-6-methyl-2-pyridyl)s…

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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) 2.05 5.61 -56.2 0 5 -1 90 259.266 3 ↓

Analogs

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Popular Name: 5-[(3,5-dichloro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3,5-dichloro-2-pyridyl)sulfa…

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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) 3.74 5.69 -53.03 0 4 -1 66 289.119 3 ↓

Analogs

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Popular Name: 5-[(5-ethoxycarbonyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(5-ethoxycarbonyl-2-pyridyl)s…

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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) 2.50 6.3 -57.79 0 6 -1 92 292.292 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-ethoxycarbonyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-ethoxycarbonyl-2-pyridyl)s…

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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) 2.45 6.19 -58.61 0 6 -1 92 292.292 6 ↓

Analogs

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Popular Name: 5-[(5-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(5-nitro-2-pyridyl)sulfanyl]f…

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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) 2.42 5.43 -59.98 0 7 -1 112 265.226 4 ↓

Analogs

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Popular Name: 5-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(5-bromo-3-nitro-2-pyridyl)su…

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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) 3.15 5.9 -50.67 0 7 -1 112 344.122 4 ↓

Analogs

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Popular Name: 5-[(3-methoxycarbonyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-methoxycarbonyl-2-pyridyl)…

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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) 2.07 5.26 -59.08 0 6 -1 92 278.265 5 ↓

Analogs

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Popular Name: 5-[(3-carbamoyl-4,6-dimethyl-2-pyridyl)sulfanyl]furan-2-carboxylic 5-[(3-carbamoyl-4,6-dimethyl-2-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) 1.87 2.43 -60.97 2 6 -1 109 291.308 4 ↓

Parameters Provided:

ring.id = 40564
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 = 40564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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