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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: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 0.50 3.52 -49.2 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 0.50 0.97 -46.67 0 6 -1 82 266.321 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 0.50 3.49 -46.99 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 0.50 0.95 -45.54 0 6 -1 82 266.321 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-ethyl-1,3,4-oxadiazol…

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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) -0.65 2.36 -48.07 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) -0.65 -0.14 -45.65 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-ethyl-1,3,4-oxadiazol…

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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) -0.65 2.35 -51.48 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) -0.65 -0.11 -52.03 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(5-methyl-1,3,4…

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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) -1.23 1.6 -48.63 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -1.23 -0.9 -46.19 0 6 -1 82 224.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(5-methyl-1,3,4…

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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) -1.23 1.61 -49.64 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -1.23 -0.9 -46.83 0 6 -1 82 224.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 0.83 4.07 -47.2 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 0.83 1.59 -46.57 0 6 -1 82 280.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 0.83 3.97 -45.82 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 0.83 1.43 -44.48 0 6 -1 82 280.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-ethyl-1,3,4-o…

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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) -0.32 2.97 -47.07 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) -0.32 0.51 -46.37 0 6 -1 82 252.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-ethyl-1,3,4-o…

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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) -0.32 2.85 -50.64 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) -0.32 0.39 -51.2 0 6 -1 82 252.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-methyl-1,3,4-…

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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) -0.89 2.18 -48.65 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) -0.89 -0.31 -47.2 0 6 -1 82 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-methyl-1,3,4-…

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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) -0.89 2.07 -47.23 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) -0.89 -0.47 -45.12 0 6 -1 82 238.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 1.39 4.84 -47.1 1 6 0 83 295.383 6 ↓
Hi High (pH 8-9.5) 1.39 2.36 -47.04 0 6 -1 82 294.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 1.39 4.73 -45.77 1 6 0 83 295.383 6 ↓
Hi High (pH 8-9.5) 1.39 2.19 -44.89 0 6 -1 82 294.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-ethyl-1,3,4-oxadiazol…

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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 3.64 -49.73 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 0.24 1.09 -53.96 0 6 -1 82 266.321 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-ethyl-1,3,4-oxadiazol…

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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 3.59 -46.69 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 0.24 1.05 -44.96 0 6 -1 82 266.321 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-methyl-1,3,4-oxadiazo…

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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) -0.33 2.95 -48.54 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) -0.33 0.45 -47.67 0 6 -1 82 252.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-methyl-1,3,4-oxadiazo…

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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) -0.33 2.83 -47.19 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) -0.33 0.29 -45.55 0 6 -1 82 252.294 5 ↓

Parameters Provided:

ring.id = 9705
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 = 9705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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