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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-isopropylpyrazol-3-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(2-isopropylpyrazol-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) 0.96 4.35 -47.46 3 5 1 64 237.327 3 ↓

Analogs

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Popular Name: (3S)-N-(2-isopropylpyrazol-3-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(2-isopropylpyrazol-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) 0.96 4.41 -47.55 3 5 1 64 237.327 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-(2-isopropylpyrazol-3-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-isopropylpyraz…

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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 4.87 -48.41 3 5 1 64 251.354 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-(2-isopropylpyrazol-3-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-isopropylpyraz…

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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 4.93 -46.93 3 5 1 64 251.354 4 ↓

Analogs

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Popular Name: (3S)-N-(2-isopropylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2-isopropylpyrazol-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) 1.85 5.64 -48.95 3 5 1 64 265.381 5 ↓

Analogs

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Popular Name: (3R)-N-(2-isopropylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2-isopropylpyrazol-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) 1.85 5.7 -47.55 3 5 1 64 265.381 5 ↓

Analogs

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Popular Name: (3R)-N-(2,5-dimethylpyrazol-3-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethylpyrazol-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) 0.44 3.33 -48.27 3 5 1 64 223.3 2 ↓

Analogs

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Popular Name: (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(2,5-dimethylpyrazol-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) 0.44 3.39 -48.45 3 5 1 64 223.3 2 ↓

Analogs

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Popular Name: (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-ethyl-pyrrolidine-3-carboxamide (3S)-N-(2,5-dimethylpyrazol-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) 0.78 3.86 -49.36 3 5 1 64 237.327 3 ↓

Analogs

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Popular Name: (3R)-N-(2,5-dimethylpyrazol-3-yl)-3-ethyl-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethylpyrazol-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) 0.78 3.92 -47.75 3 5 1 64 237.327 3 ↓

Analogs

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Popular Name: (3S)-N-(2,5-dimethylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2,5-dimethylpyrazol-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) 1.34 4.63 -49.86 3 5 1 64 251.354 4 ↓

Analogs

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Popular Name: (3R)-N-(2,5-dimethylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2,5-dimethylpyrazol-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) 1.34 4.69 -48.25 3 5 1 64 251.354 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(2-methylpyrazol…

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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) 0.22 2.82 -47.92 3 5 1 64 209.273 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(2-methylpyrazol…

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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) 0.22 2.74 -47.8 3 5 1 64 209.273 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-methylpyrazol-…

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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) 0.56 3.26 -48.8 3 5 1 64 223.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-methylpyrazol-…

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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) 0.56 3.33 -47.25 3 5 1 64 223.3 3 ↓

Analogs

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Popular Name: (3S)-N-(2-methylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2-methylpyrazol-3-yl)-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) 1.12 4.04 -49.34 3 5 1 64 237.327 4 ↓

Analogs

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Popular Name: (3R)-N-(2-methylpyrazol-3-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2-methylpyrazol-3-yl)-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) 1.12 4.1 -47.77 3 5 1 64 237.327 4 ↓

Analogs

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Popular Name: (3R)-N-[2-(1-ethylpropyl)-4-methyl-pyrazol-3-yl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (3R)-N-[2-(1-ethylpropyl)-4-meth…

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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) 2.33 8.19 -43.75 2 6 1 61 323.461 8 ↓
Mid Mid (pH 6-8) 2.33 5.75 -10.91 1 6 0 59 322.453 8 ↓

Analogs

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Popular Name: (3S)-N-[2-(1-ethylpropyl)-4-methyl-pyrazol-3-yl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (3S)-N-[2-(1-ethylpropyl)-4-meth…

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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) 2.33 8.46 -44.18 2 6 1 61 323.461 8 ↓
Mid Mid (pH 6-8) 2.33 5.95 -9.95 1 6 0 59 322.453 8 ↓

Parameters Provided:

ring.id = 299886
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 = 299886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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