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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: (3R)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(5-methyl-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) 1.32 3.14 -51.66 2 4 1 64 258.363 3 ↓
Hi High (pH 8-9.5) 1.32 2.11 -12.23 1 4 0 59 257.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(5-methyl-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) 1.32 3.19 -54.1 2 4 1 64 258.363 3 ↓
Hi High (pH 8-9.5) 1.32 2.18 -12.8 1 4 0 59 257.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(5-methyl-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) 1.32 3.19 -54.1 2 4 1 64 258.363 3 ↓
Hi High (pH 8-9.5) 1.32 2.15 -15.39 1 4 0 59 257.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(5-methyl-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) 1.32 3.14 -51.69 2 4 1 64 258.363 3 ↓
Hi High (pH 8-9.5) 1.32 2.08 -12.61 1 4 0 59 257.355 3 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-methyl-N-…

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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) -0.12 1.91 -45.58 3 5 1 78 287.405 4 ↓
Mid Mid (pH 6-8) -0.12 0.68 -50.48 3 5 1 78 287.405 4 ↓
Lo Low (pH 4.5-6) -0.12 2.34 -134.84 4 5 2 79 288.413 4 ↓

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-methyl-N-…

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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) -0.12 1.91 -46.17 3 5 1 78 287.405 4 ↓
Mid Mid (pH 6-8) -0.12 0.67 -46.42 3 5 1 78 287.405 4 ↓
Lo Low (pH 4.5-6) -0.12 2.43 -130.91 4 5 2 79 288.413 4 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-(2-furylmethyl)-N-methyl-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-(2-furylm…

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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) -0.34 1.07 -45.48 3 5 1 78 273.378 4 ↓
Mid Mid (pH 6-8) -0.34 -0.19 -50.91 3 5 1 78 273.378 4 ↓
Lo Low (pH 4.5-6) -0.34 1.51 -134.54 4 5 2 79 274.386 4 ↓

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-(2-furylmethyl)-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-(2-furylm…

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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) -0.34 1.25 -44.75 3 5 1 78 273.378 4 ↓
Mid Mid (pH 6-8) -0.34 -0.27 -54.05 3 5 1 78 273.378 4 ↓
Lo Low (pH 4.5-6) -0.34 1.62 -137.85 4 5 2 79 274.386 4 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-ethyl-N-(2-furylmethyl)-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-ethyl-N-(…

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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) 0.04 2.18 -42.97 3 5 1 78 287.405 5 ↓
Mid Mid (pH 6-8) 0.04 0.43 -50.9 3 5 1 78 287.405 5 ↓
Lo Low (pH 4.5-6) 0.04 2.24 -121.99 4 5 2 79 288.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-ethyl-N-(2-furylmethyl)-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-ethyl-N-(…

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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) 0.04 1.74 -42.22 3 5 1 78 287.405 5 ↓
Mid Mid (pH 6-8) 0.04 0.56 -54.58 3 5 1 78 287.405 5 ↓
Lo Low (pH 4.5-6) 0.04 2.19 -135.57 4 5 2 79 288.413 5 ↓

Analogs

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Popular Name: (3R)-N-[(5-nitro-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(5-nitro-2-furyl)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) 0.63 2.52 -70.54 2 7 1 110 275.306 4 ↓
Hi High (pH 8-9.5) 0.63 1.32 -17.2 1 7 0 105 274.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(5-nitro-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(5-nitro-2-furyl)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) 0.63 2.51 -72.66 2 7 1 110 275.306 4 ↓
Hi High (pH 8-9.5) 0.63 1.32 -20.56 1 7 0 105 274.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(2-furyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(2-furyl)propyl]-…

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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) 1.61 3.16 -52.28 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.61 2.32 -12.37 1 4 0 59 257.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(2-furyl)propyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(2-furyl)propyl]-…

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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) 1.61 2.93 -52 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.61 2.04 -11.47 1 4 0 59 257.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(2-furyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(2-furyl)propyl]-…

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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) 1.61 2.97 -52.02 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.61 2.24 -10.9 1 4 0 59 257.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(2-furyl)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(2-furyl)propyl]-…

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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) 1.61 3.17 -52.35 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.61 2.1 -14.67 1 4 0 59 257.355 4 ↓

Analogs

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Popular Name: (3R)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[5-(methylsulfanylmethyl…

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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) 1.28 3.85 -57.72 2 4 1 64 290.43 5 ↓
Hi High (pH 8-9.5) 1.28 2.65 -13.55 1 4 0 59 289.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1,1-dioxo-thian-3-amine (3S)-N-[[5-(methylsulfanylmethyl…

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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) 1.28 3.86 -58.67 2 4 1 64 290.43 5 ↓
Hi High (pH 8-9.5) 1.28 2.66 -15.34 1 4 0 59 289.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(5-ethyl-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(5-ethyl-2-furyl)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) 1.34 3.41 -55.09 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.34 2.22 -12.26 1 4 0 59 257.355 4 ↓

Analogs

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Popular Name: (3S)-N-[(5-ethyl-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(5-ethyl-2-furyl)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) 1.34 3.41 -55.85 2 4 1 64 258.363 4 ↓
Hi High (pH 8-9.5) 1.34 2.22 -13.85 1 4 0 59 257.355 4 ↓

Analogs

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Popular Name: (3R)-N-[(4,5-dibromo-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(4,5-dibromo-2-furyl)met…

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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) 2.21 3.14 -61.53 2 4 1 64 388.101 3 ↓
Hi High (pH 8-9.5) 2.21 1.94 -12.01 1 4 0 59 387.093 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4,5-dibromo-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(4,5-dibromo-2-furyl)met…

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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) 2.21 3.13 -62.42 2 4 1 64 388.101 3 ↓
Hi High (pH 8-9.5) 2.21 1.94 -13.91 1 4 0 59 387.093 3 ↓

Analogs

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Popular Name: 5-[[[(3R)-1,1-dioxothian-3-yl]amino]methyl]furan-2-carboxylic 5-[[[(3R)-1,1-dioxothian-3-yl]am…

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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) 0.36 2.74 -81.75 2 6 0 104 273.31 4 ↓
Hi High (pH 8-9.5) 0.36 1.55 -56.24 1 6 -1 99 272.302 4 ↓

Analogs

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Popular Name: 5-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]furan-2-carboxylic 5-[[[(3S)-1,1-dioxothian-3-yl]am…

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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) 0.36 2.74 -84.5 2 6 0 104 273.31 4 ↓
Hi High (pH 8-9.5) 0.36 1.54 -60.29 1 6 -1 99 272.302 4 ↓

Analogs

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Popular Name: methyl 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) 0.62 2.62 -65.36 2 6 1 90 288.345 5 ↓
Hi High (pH 8-9.5) 0.62 1.42 -15.57 1 6 0 86 287.337 5 ↓

Analogs

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Popular Name: methyl 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) 0.62 2.61 -66.52 2 6 1 90 288.345 5 ↓
Hi High (pH 8-9.5) 0.62 1.42 -17.77 1 6 0 86 287.337 5 ↓

Analogs

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Popular Name: (3R)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1,1-dioxo-thian-3-amine (3R)-N-[[5-(difluoromethylsulfan…

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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) 1.84 4.24 -58.96 2 4 1 64 326.41 6 ↓
Hi High (pH 8-9.5) 1.84 3.04 -13.71 1 4 0 59 325.402 6 ↓

Analogs

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Popular Name: (3S)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1,1-dioxo-thian-3-amine (3S)-N-[[5-(difluoromethylsulfan…

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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) 1.84 4.24 -60.05 2 4 1 64 326.41 6 ↓
Hi High (pH 8-9.5) 1.84 3.05 -15.66 1 4 0 59 325.402 6 ↓

Analogs

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Popular Name: methyl 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) 0.52 3.33 -63.62 2 6 1 90 302.372 5 ↓
Hi High (pH 8-9.5) 0.52 2.13 -14.89 1 6 0 86 301.364 5 ↓

Analogs

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Popular Name: methyl 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) 0.52 3.33 -64.18 2 6 1 90 302.372 5 ↓
Hi High (pH 8-9.5) 0.52 2.13 -16.34 1 6 0 86 301.364 5 ↓

Parameters Provided:

ring.id = 286603
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 = 286603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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