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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-benzyl-2-[[(4R)-5-cyano-4-(2-furyl)-2-hydroxy-3,4-dihydropyridin-6-yl]sulfanyl]acetamide N-benzyl-2-[[(4R)-5-cyano-4-(2-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) 1.73 6.09 -14.05 1 6 0 95 367.43 6 ↓

Analogs

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Popular Name: N-benzyl-2-[[(4S)-5-cyano-4-(2-furyl)-2-hydroxy-3,4-dihydropyridin-6-yl]sulfanyl]acetamide N-benzyl-2-[[(4S)-5-cyano-4-(2-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) 1.73 6.01 -16.43 1 6 0 95 367.43 6 ↓

Analogs

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Popular Name: (4R)-6-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-hydroxy-3,4-dihydropyridine-5-carb (4R)-6-[2-(2,4-dimethylphenyl)-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) 3.19 8.85 -15.01 0 5 0 83 366.442 5 ↓

Analogs

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Popular Name: (4S)-6-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-2-hydroxy-3,4-dihydropyridine-5-carb (4S)-6-[2-(2,4-dimethylphenyl)-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) 3.19 9.04 -14.72 0 5 0 83 366.442 5 ↓

Analogs

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Popular Name: (4S)-4-(3-bromophenyl)-6-ethylsulfanyl-2-hydroxy-3,4-dihydropyridine-5-carbonitrile (4S)-4-(3-bromophenyl)-6-ethylsu…

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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) 3.60 6.98 -12.38 0 3 0 53 337.242 3 ↓

Analogs

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Popular Name: 2-[[(5R)-9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl]-N-(m-tolyl)acetamid 2-[[(5R)-9-tert-butyl-1,5-dicyan…

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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) 4.57 9.26 -18.96 1 6 0 106 450.608 5 ↓

Analogs

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Popular Name: 2-[[(11R)-3-tert-butyl-7,11-dicyano-10-oxo-9-azaspiro[5.5]undec-7-en-8-yl]sulfanyl]-N-(4-fluoropheny 2-[[(11R)-3-tert-butyl-7,11-dicy…

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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) 4.31 8.68 -13.92 1 6 0 106 454.571 5 ↓

Analogs

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Popular Name: (11R)-8-[[(5S)-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl]sulfanylmethylsulfanyl]-10-oxo-9-aza (11R)-8-[[(5S)-1,5-dicyano-4-oxo…

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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) 4.16 8.1 -23.97 0 8 0 154 506.657 4 ↓

Analogs

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Popular Name: (5R)-2-ethylsulfanyl-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-2-ethylsulfanyl-9-methyl-4-…

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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) 1.13 5.13 -58.31 1 5 0 81 291.4 2 ↓
Hi High (pH 8-9.5) 0.98 1.75 -25.64 0 5 0 86 289.384 2 ↓
Hi High (pH 8-9.5) 0.98 1.02 -14.45 1 5 0 83 290.392 2 ↓

Analogs

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Popular Name: (5S)-2-ethylsulfanyl-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5S)-2-ethylsulfanyl-9-methyl-4-…

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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) 1.13 4.88 -46.56 1 5 0 81 291.4 2 ↓
Mid Mid (pH 6-8) 1.13 2.5 -15.61 0 5 0 80 290.392 2 ↓

Analogs

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Popular Name: (10R)-7-[2-[[(10S)-6,10-dicyano-9-oxo-8-azaspiro[4.5]dec-6-en-7-yl]sulfanyl]ethylsulfanyl]-9-oxo-8-a (10R)-7-[2-[[(10S)-6,10-dicyano-…

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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) 3.16 7.55 -24.54 0 8 0 154 492.63 5 ↓

Analogs

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Popular Name: (10S)-7-[2-[[(10S)-6,10-dicyano-9-oxo-8-azaspiro[4.5]dec-6-en-7-yl]sulfanyl]ethylsulfanyl]-9-oxo-8-a (10S)-7-[2-[[(10S)-6,10-dicyano-…

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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) 3.16 7.6 -33.49 0 8 0 154 492.63 5 ↓

Analogs

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Popular Name: 2-(hexylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile 2-(hexylsulfanyl)-4-oxo-3-azaspi…

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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) 4.69 8.43 -15.33 0 4 0 77 331.485 6 ↓

Analogs

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Popular Name: (5R)-2-ethylsulfanyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-2-ethylsulfanyl-4-oxo-3-aza…

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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) 2.62 5.29 -15.42 0 4 0 77 275.377 2 ↓

Analogs

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Popular Name: (10R)-9-oxo-7-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitril (10R)-9-oxo-7-[2-oxo-2-(2-oxochr…

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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) 2.89 9.04 -17.23 0 7 0 124 419.462 4 ↓

Analogs

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Popular Name: 2-[[(5R)-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl]-N-(8-quinolyl)acetamide 2-[[(5R)-1,5-dicyano-4-oxo-3-aza…

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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) 3.00 6.72 -15.56 1 7 0 119 431.521 4 ↓

Analogs

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Popular Name: (5R)-2-allylsulfanyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-2-allylsulfanyl-4-oxo-3-aza…

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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) 2.89 5.45 -8.82 0 4 0 77 287.388 3 ↓

Analogs

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Popular Name: (5S)-2-allylsulfanyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5S)-2-allylsulfanyl-4-oxo-3-aza…

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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) 2.89 6 -14 0 4 0 77 287.388 3 ↓

Analogs

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Popular Name: (5R)-2-ethylsulfanyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-2-ethylsulfanyl-4-oxo-3-aza…

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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) 2.62 4.88 -8.89 0 4 0 77 275.377 2 ↓

Analogs

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Popular Name: (5S)-2-ethylsulfanyl-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5S)-2-ethylsulfanyl-4-oxo-3-aza…

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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) 2.62 5.44 -14.21 0 4 0 77 275.377 2 ↓

Analogs

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Popular Name: (5R)-4-oxo-2-propylsulfanyl-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-4-oxo-2-propylsulfanyl-3-az…

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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) 3.12 5.68 -8.7 0 4 0 77 289.404 3 ↓

Analogs

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Popular Name: (5S)-4-oxo-2-propylsulfanyl-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5S)-4-oxo-2-propylsulfanyl-3-az…

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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) 3.12 6.23 -14.13 0 4 0 77 289.404 3 ↓

Analogs

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Popular Name: butyl butyl

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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) 3.16 7.87 -17.49 0 7 0 113 399.472 9 ↓

Analogs

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Popular Name: butyl butyl

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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) 3.16 8.09 -11.61 0 7 0 113 399.472 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.46 -11.6 0 7 0 113 385.445 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.56 -15.71 0 7 0 113 385.445 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.8 -15.63 0 7 0 113 385.445 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.47 7.21 -17.22 0 7 0 113 385.445 8 ↓

Analogs

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Popular Name: (10R)-9-oxo-7-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitril (10R)-9-oxo-7-[2-oxo-2-(2-oxochr…

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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) 2.89 9.08 -23.72 0 7 0 124 419.462 4 ↓

Analogs

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Popular Name: (10S)-9-oxo-7-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitril (10S)-9-oxo-7-[2-oxo-2-(2-oxochr…

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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) 2.89 9.08 -23.36 0 7 0 124 419.462 4 ↓

Analogs

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Popular Name: (10R)-7-benzylsulfanyl-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (10R)-7-benzylsulfanyl-9-oxo-8-a…

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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) 3.33 7.86 -16.7 0 4 0 77 323.421 3 ↓

Analogs

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Popular Name: (10S)-7-benzylsulfanyl-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile (10S)-7-benzylsulfanyl-9-oxo-8-a…

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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) 3.33 7.94 -16.3 0 4 0 77 323.421 3 ↓

Analogs

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Popular Name: (11R)-8-[2-[[(5S)-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl]ethylsulfanyl]-10-oxo-9- (11R)-8-[2-[[(5S)-1,5-dicyano-4-…

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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) 4.17 8.49 -25.32 0 8 0 154 520.684 5 ↓

Parameters Provided:

ring.id = 7900
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 7900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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