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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)-3-hydroxypyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3S)-3-hydroxypyrrolidin-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) 0.06 0.71 -11.66 2 5 0 69 231.255 1 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3R)-3-hydroxypyrrolidin-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) 0.06 0.81 -12.26 2 5 0 69 231.255 1 ↓

Analogs

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Popular Name: (3S)-1-(1H-indazole-6-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(1H-indazole-6-carbonyl)-…

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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 5.15 -52.81 1 6 -1 89 272.284 2 ↓

Analogs

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Popular Name: (3R)-1-(1H-indazole-6-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(1H-indazole-6-carbonyl)-…

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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 5.25 -50.52 1 6 -1 89 272.284 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1H-indazole-6-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1H-indazole-6-ca…

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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) 0.90 5.7 -44.77 1 6 -1 89 286.311 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(1H-indazole-6-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1H-indazole-6-ca…

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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) 0.90 5.74 -49.96 1 6 -1 89 286.311 3 ↓

Analogs

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Popular Name: [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3R)-3-(dimethylamino)pyrrolidi…

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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) 0.72 5.22 -47.37 2 5 1 53 259.333 2 ↓
Hi High (pH 8-9.5) 0.72 2.83 -10.65 1 5 0 52 258.325 2 ↓

Analogs

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Popular Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3S)-3-(dimethylamino)pyrrolidi…

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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) 0.72 5.21 -47.35 2 5 1 53 259.333 2 ↓
Hi High (pH 8-9.5) 0.72 2.78 -10.47 1 5 0 52 258.325 2 ↓

Analogs

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Popular Name: [(3R)-3-(diethylamino)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3R)-3-(diethylamino)pyrrolidin…

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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) 1.47 6.25 -45.2 2 5 1 53 287.387 4 ↓
Hi High (pH 8-9.5) 1.47 4.11 -10.35 1 5 0 52 286.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(3S)-3-(diethylamino)pyrrolidin…

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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) 1.47 6.23 -45.35 2 5 1 53 287.387 4 ↓
Hi High (pH 8-9.5) 1.47 4.17 -10.4 1 5 0 52 286.379 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(1H-indazole-6-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(1H-indazole-6-carbony…

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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) 0.48 6.73 -70.78 1 6 -1 89 272.284 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(1H-indazole-6-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(1H-indazole-6-carbony…

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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) 0.48 6.81 -71.76 1 6 -1 89 272.284 3 ↓

Analogs

42433278
42433278

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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 1.71 -10.51 2 5 0 69 245.282 2 ↓

Analogs

42433277
42433277

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indazol-6-yl)methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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 1.73 -10.37 2 5 0 69 245.282 2 ↓

Parameters Provided:

ring.id = 8924
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 = 8924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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