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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-[2-(2-isopropylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-isopropylimidazol-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) 0.44 2.77 -40.74 2 5 1 65 272.394 5 ↓
Mid Mid (pH 6-8) 0.44 3.95 -126.69 3 5 2 70 273.402 5 ↓
Mid Mid (pH 6-8) 0.44 2.3 -16.41 1 5 0 64 271.386 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(2-isopropylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-isopropylimidazol-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) 0.44 2.81 -41.57 2 5 1 65 272.394 5 ↓
Mid Mid (pH 6-8) 0.44 3.96 -126.64 3 5 2 70 273.402 5 ↓
Mid Mid (pH 6-8) 0.44 3.48 -74.24 2 5 1 69 272.394 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(4,5-dimethylimidazol-…

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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) -0.26 2.94 -43.19 2 5 1 65 258.367 4 ↓
Mid Mid (pH 6-8) -0.26 2.47 -16.95 1 5 0 64 257.359 4 ↓
Mid Mid (pH 6-8) -0.26 4.1 -128.57 3 5 2 70 259.375 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(4,5-dimethylimidazol-…

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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) -0.26 2.97 -44.7 2 5 1 65 258.367 4 ↓
Mid Mid (pH 6-8) -0.26 2.51 -17.24 1 5 0 64 257.359 4 ↓
Mid Mid (pH 6-8) -0.26 4.11 -128.77 3 5 2 70 259.375 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(2-ethylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-ethylimidazol-1-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) -0.04 2.2 -41.39 2 5 1 65 258.367 5 ↓
Mid Mid (pH 6-8) -0.04 3.37 -126.17 3 5 2 70 259.375 5 ↓
Mid Mid (pH 6-8) -0.04 3.03 -74.49 2 5 1 69 258.367 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-ethylimidazol-1-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) -0.04 2.23 -42.16 2 5 1 65 258.367 5 ↓
Mid Mid (pH 6-8) -0.04 3.38 -126.09 3 5 2 70 259.375 5 ↓
Mid Mid (pH 6-8) -0.04 1.88 -16.98 1 5 0 64 257.359 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(imidazol-1-ylmet…

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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) 0.99 5.52 -123.01 3 5 2 70 287.429 5 ↓
Hi High (pH 8-9.5) 0.99 4.29 -15.87 1 5 0 64 285.413 5 ↓
Mid Mid (pH 6-8) 0.99 4.81 -46.33 2 5 1 65 286.421 5 ↓

Analogs

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Popular Name: (3R)-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1R)-1-(imidazol-1-ylmet…

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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) 0.99 4.89 -127.18 3 5 2 70 287.429 5 ↓
Hi High (pH 8-9.5) 0.99 3.71 -14.09 1 5 0 64 285.413 5 ↓
Mid Mid (pH 6-8) 0.99 4.23 -45.86 2 5 1 65 286.421 5 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1S)-1-(imidazol-1-ylmet…

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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) 0.99 5.22 -123.95 3 5 2 70 287.429 5 ↓
Hi High (pH 8-9.5) 0.99 4 -14.16 1 5 0 64 285.413 5 ↓
Mid Mid (pH 6-8) 0.99 4.51 -50.24 2 5 1 65 286.421 5 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(1R)-1-(imidazol-1-ylmet…

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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) 0.99 5.29 -125.91 3 5 2 70 287.429 5 ↓
Hi High (pH 8-9.5) 0.99 3.95 -15.42 1 5 0 64 285.413 5 ↓
Mid Mid (pH 6-8) 0.99 4.46 -44.14 2 5 1 65 286.421 5 ↓

Analogs

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Popular Name: (3R,4S)-4-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[[(1S)-2-imidazol-1-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) -1.29 -0.68 -15.58 2 6 0 84 259.331 4 ↓
Mid Mid (pH 6-8) -1.29 -0.17 -45.08 3 6 1 85 260.339 4 ↓
Mid Mid (pH 6-8) -1.29 0.82 -118.71 4 6 2 90 261.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,1-dioxo-thiolan-3-ol (3R,4S)-4-[[(1R)-2-imidazol-1-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) -1.29 -0.52 -16.9 2 6 0 84 259.331 4 ↓
Mid Mid (pH 6-8) -1.29 0 -40.97 3 6 1 85 260.339 4 ↓
Mid Mid (pH 6-8) -1.29 0.78 -119.07 4 6 2 90 261.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,1-dioxo-thiolan-3-ol (3R,4R)-4-[[(1S)-2-imidazol-1-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) -1.29 -1.13 -16.92 2 6 0 84 259.331 4 ↓
Mid Mid (pH 6-8) -1.29 0.43 -123.11 4 6 2 90 261.347 4 ↓
Mid Mid (pH 6-8) -1.29 -0.62 -48.01 3 6 1 85 260.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,1-dioxo-thiolan-3-ol (3R,4R)-4-[[(1R)-2-imidazol-1-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) -1.29 -1.22 -19.03 2 6 0 84 259.331 4 ↓
Mid Mid (pH 6-8) -1.29 0.04 -126.93 4 6 2 90 261.347 4 ↓
Mid Mid (pH 6-8) -1.29 -0.7 -44.82 3 6 1 85 260.339 4 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic 2-[[(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) -2.03 4.7 -53.92 1 7 0 97 301.368 6 ↓
Hi High (pH 8-9.5) -2.03 2.44 -52.32 0 7 -1 95 300.36 6 ↓
Mid Mid (pH 6-8) -2.03 5.17 -83.46 2 7 1 98 302.376 6 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic 2-[[(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) -2.03 4.65 -52.4 1 7 0 97 301.368 6 ↓
Hi High (pH 8-9.5) -2.03 2.46 -49.9 0 7 -1 95 300.36 6 ↓
Mid Mid (pH 6-8) -2.03 5.12 -80.88 2 7 1 98 302.376 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 73189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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