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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)-1,1-dioxo-N-(thiazol-5-ylmethyl)thiolan-3-amine (3R)-1,1-dioxo-N-(thiazol-5-ylme…

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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) 0.19 -0.84 -14.19 1 4 0 59 232.33 3 ↓
Mid Mid (pH 6-8) 0.19 0.34 -63.69 2 4 1 64 233.338 3 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(thiazol-5-ylmethyl)thiolan-3-amine (3S)-1,1-dioxo-N-(thiazol-5-ylme…

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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) 0.19 -0.8 -15.16 1 4 0 59 232.33 3 ↓
Mid Mid (pH 6-8) 0.19 0.36 -64.24 2 4 1 64 233.338 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1,1-dioxo-N-(thiazol-5-ylmethyl)thiolan-3-amine (3S)-3-methyl-1,1-dioxo-N-(thiaz…

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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 -0.41 -13.52 1 4 0 59 246.357 3 ↓
Mid Mid (pH 6-8) 0.63 0.77 -59.26 2 4 1 64 247.365 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1,1-dioxo-N-(thiazol-5-ylmethyl)thiolan-3-amine (3R)-3-methyl-1,1-dioxo-N-(thiaz…

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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 -0.38 -14.41 1 4 0 59 246.357 3 ↓
Mid Mid (pH 6-8) 0.63 0.79 -58.22 2 4 1 64 247.365 3 ↓

Analogs

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Popular Name: (3S)-N-[(2-tert-butylthiazol-5-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[(2-tert-butylthiazol-5-y…

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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 2.18 -13.18 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 2.07 3.35 -58.6 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-N-[(2-tert-butylthiazol-5-yl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[(2-tert-butylthiazol-5-y…

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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 2.2 -14.2 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 2.07 3.38 -57.56 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: 5-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(3R)-1,1-dioxothiolan-3-yl]…

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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) 1.16 2.79 -14.85 1 5 0 62 303.453 6 ↓
Mid Mid (pH 6-8) 1.16 3.98 -61.17 2 5 1 67 304.461 6 ↓
Lo Low (pH 4.5-6) 1.16 4.43 -122.74 3 5 2 68 305.469 6 ↓

Analogs

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Popular Name: 5-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(3S)-1,1-dioxothiolan-3-yl]…

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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) 1.16 2.84 -15.87 1 5 0 62 303.453 6 ↓
Mid Mid (pH 6-8) 1.16 3.99 -61.74 2 5 1 67 304.461 6 ↓
Lo Low (pH 4.5-6) 1.16 4.45 -123.16 3 5 2 68 305.469 6 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-(4-methylthiazol-…

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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) 0.97 0.33 -14.61 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.97 1.33 -60.53 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(4-methylthiazol-…

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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) 0.97 0.38 -14.21 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.97 1.39 -60.57 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1R)-1-(4-methylthiazol-…

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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) 0.97 0.37 -15.77 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.97 1.36 -59.55 2 4 1 64 261.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1S)-1-(4-methylthiazol-…

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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) 0.97 0.33 -14.79 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.97 1.36 -60.7 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-(2-tert-butyl-4-m…

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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) 2.40 2.92 -14.42 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.40 3.92 -59.74 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(2-tert-butyl-4-m…

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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) 2.40 2.98 -13.99 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.40 3.98 -59.91 2 4 1 64 317.5 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1R)-1-(2-tert-butyl-4-m…

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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) 2.40 2.96 -15.62 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.40 3.95 -58.82 2 4 1 64 317.5 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1S)-1-(2-tert-butyl-4-m…

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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) 2.40 2.93 -14.47 1 4 0 59 316.492 4 ↓
Mid Mid (pH 6-8) 2.40 3.95 -60.07 2 4 1 64 317.5 4 ↓

Analogs

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Popular Name: N,N-diethyl-5-[[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(3R)-3-methyl-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) 1.61 3.24 -15.56 1 5 0 62 317.48 6 ↓
Mid Mid (pH 6-8) 1.61 4.42 -55.8 2 5 1 67 318.488 6 ↓
Lo Low (pH 4.5-6) 1.61 4.88 -116 3 5 2 68 319.496 6 ↓

Analogs

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Popular Name: N,N-diethyl-5-[[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]methyl]thiazol-2-amine N,N-diethyl-5-[[[(3S)-3-methyl-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) 1.61 3.18 -14.65 1 5 0 62 317.48 6 ↓
Mid Mid (pH 6-8) 1.61 4.38 -56.9 2 5 1 67 318.488 6 ↓
Lo Low (pH 4.5-6) 1.61 4.84 -117.99 3 5 2 68 319.496 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[(1R)-1-(4-methy…

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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) 1.41 0.69 -15.97 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.41 1.13 -53.74 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[(1S)-1-(4-methy…

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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) 1.41 0.66 -13.98 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.41 1.4 -53.82 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[(1R)-1-(4-methy…

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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) 1.41 0.65 -15.77 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.41 1.2 -57.05 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[(1S)-1-(4-methy…

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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) 1.41 0.61 -13.43 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.41 1.59 -56.95 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-(2-tert-butyl-4-m…

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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 3.29 -15.93 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.85 3.73 -52.94 2 4 1 64 331.527 4 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(2-tert-butyl-4-m…

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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 3.25 -13.63 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.85 3.99 -53.11 2 4 1 64 331.527 4 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[(1R)-1-(2-tert-butyl-4-m…

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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 3.25 -15.73 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.85 3.79 -56.37 2 4 1 64 331.527 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-3-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[(1S)-1-(2-tert-butyl-4-m…

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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 3.2 -13.09 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.85 4.18 -56.15 2 4 1 64 331.527 4 ↓

Parameters Provided:

ring.id = 153534
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 = 153534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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