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

Analogs

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Popular Name: (3S)-3-[[5-(chloromethyl)tetrazol-1-yl]methyl]thiolane (3S)-3-[[5-(chloromethyl)tetrazo…

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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) -0.10 1.34 -24.67 0 6 0 78 250.711 3 ↓

Analogs

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Popular Name: (3R)-3-[[5-(chloromethyl)tetrazol-1-yl]methyl]thiolane (3R)-3-[[5-(chloromethyl)tetrazo…

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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) -0.10 1.29 -24.73 0 6 0 78 250.711 3 ↓

Analogs

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

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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) 0.01 2.33 -69.2 2 7 1 94 288.397 6 ↓
Hi High (pH 8-9.5) 0.01 0.92 -18.9 1 7 0 90 287.389 6 ↓

Analogs

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

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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) 0.01 2.29 -72.34 2 7 1 94 288.397 6 ↓
Hi High (pH 8-9.5) 0.01 0.94 -18.75 1 7 0 90 287.389 6 ↓

Analogs

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Popular Name: N-[[1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[[(3S)-1,1-dioxothiolan-3-…

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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 0.02 -69.48 2 8 1 104 290.369 7 ↓
Mid Mid (pH 6-8) -1.13 -1.38 -20.79 1 8 0 99 289.361 7 ↓

Analogs

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Popular Name: N-[[1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[[(3R)-1,1-dioxothiolan-3-…

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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 -0.02 -72.76 2 8 1 104 290.369 7 ↓
Mid Mid (pH 6-8) -1.13 -1.36 -20.9 1 8 0 99 289.361 7 ↓

Analogs

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Popular Name: [1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methanamine [1-[[(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) -1.49 -1.89 -81.3 3 7 1 105 232.289 3 ↓
Hi High (pH 8-9.5) -1.49 -1.82 -22.76 2 7 0 104 231.281 3 ↓

Analogs

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Popular Name: [1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methanamine [1-[[(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) -1.49 -1.85 -82.21 3 7 1 105 232.289 3 ↓
Hi High (pH 8-9.5) -1.49 -2.28 -23.26 2 7 0 104 231.281 3 ↓

Analogs

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Popular Name: 1-[1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[[(3S)-1,1-dioxothiolan-3-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) -1.12 0.02 -68.39 2 7 1 94 246.316 4 ↓
Hi High (pH 8-9.5) -1.12 -1.46 -18.99 1 7 0 90 245.308 4 ↓

Analogs

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Popular Name: 1-[1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[[(3R)-1,1-dioxothiolan-3-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) -1.12 -0.01 -71.37 2 7 1 94 246.316 4 ↓
Hi High (pH 8-9.5) -1.12 -1.44 -18.92 1 7 0 90 245.308 4 ↓

Analogs

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Popular Name: N-[[1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(3S)-1,1-dioxothiolan-3-…

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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) -0.74 0.88 -67.67 2 7 1 94 260.343 5 ↓
Hi High (pH 8-9.5) -0.74 -0.53 -18.87 1 7 0 90 259.335 5 ↓

Analogs

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Popular Name: N-[[1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(3R)-1,1-dioxothiolan-3-…

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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) -0.74 0.85 -70.67 2 7 1 94 260.343 5 ↓
Hi High (pH 8-9.5) -0.74 -0.51 -18.86 1 7 0 90 259.335 5 ↓

Analogs

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Popular Name: N-[[1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(3S)-1,1-dioxothiolan-3-…

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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) -0.24 1.63 -68.83 2 7 1 94 274.37 6 ↓
Hi High (pH 8-9.5) -0.24 0.23 -18.8 1 7 0 90 273.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(3R)-1,1-dioxothiolan-3-…

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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) -0.24 1.6 -71.84 2 7 1 94 274.37 6 ↓
Hi High (pH 8-9.5) -0.24 0.25 -18.73 1 7 0 90 273.362 6 ↓

Analogs

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

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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 1.4 -65.89 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.44 0.16 -18.8 1 7 0 90 273.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1.38 -69.1 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.44 0.18 -18.79 1 7 0 90 273.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.07 1.83 -62.54 2 7 1 94 288.397 5 ↓
Hi High (pH 8-9.5) 0.07 0.56 -18.39 1 7 0 90 287.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.07 1.81 -65.75 2 7 1 94 288.397 5 ↓
Hi High (pH 8-9.5) 0.07 0.58 -18.39 1 7 0 90 287.389 5 ↓

Parameters Provided:

ring.id = 151600
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 = 151600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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