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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: (4R,5R)-4-amino-1-methyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-methyl-5-(1-me…

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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) 0.31 4.62 -54.54 3 4 1 51 246.334 1 ↓
Hi High (pH 8-9.5) 0.31 4.31 -8.43 2 4 0 50 245.326 1 ↓
Lo Low (pH 4.5-6) 0.31 5.21 -108.2 4 4 2 52 247.342 1 ↓

Analogs

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Popular Name: (4R,5S)-4-amino-1-methyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(1-me…

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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) 0.31 4.35 -59.58 3 4 1 51 246.334 1 ↓
Hi High (pH 8-9.5) 0.31 4.06 -8.39 2 4 0 50 245.326 1 ↓
Lo Low (pH 4.5-6) 0.31 4.93 -108.44 4 4 2 52 247.342 1 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-ethyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-ethyl-5-(1-met…

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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) 0.69 5.58 -54.17 3 4 1 51 260.361 2 ↓
Hi High (pH 8-9.5) 0.69 5.29 -8.11 2 4 0 50 259.353 2 ↓
Lo Low (pH 4.5-6) 0.69 6.19 -108.63 4 4 2 52 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-ethyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-ethyl-5-(1-met…

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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) 0.69 5.19 -58.73 3 4 1 51 260.361 2 ↓
Hi High (pH 8-9.5) 0.69 4.9 -8.29 2 4 0 50 259.353 2 ↓
Lo Low (pH 4.5-6) 0.69 5.8 -108.38 4 4 2 52 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-ethyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-ethyl-5-(1-met…

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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) 0.69 5.44 -57.7 3 4 1 51 260.361 2 ↓
Hi High (pH 8-9.5) 0.69 5.15 -9.73 2 4 0 50 259.353 2 ↓
Lo Low (pH 4.5-6) 0.69 6.05 -103.94 4 4 2 52 261.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-ethyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(1-met…

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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) 0.69 5.53 -49.78 3 4 1 51 260.361 2 ↓
Hi High (pH 8-9.5) 0.69 5.28 -9.24 2 4 0 50 259.353 2 ↓
Lo Low (pH 4.5-6) 0.69 6.12 -105.67 4 4 2 52 261.369 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-5-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-2-one (4R,5R)-4-amino-5-(1-methylindol…

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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) 1.19 6.34 -54.35 3 4 1 51 274.388 3 ↓
Hi High (pH 8-9.5) 1.19 6.04 -8.01 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.19 6.91 -109.04 4 4 2 52 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-5-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-2-one (4R,5S)-4-amino-5-(1-methylindol…

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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) 1.19 5.95 -58.92 3 4 1 51 274.388 3 ↓
Hi High (pH 8-9.5) 1.19 5.66 -8.23 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.19 6.56 -108.98 4 4 2 52 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-5-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-2-one (4S,5R)-4-amino-5-(1-methylindol…

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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) 1.19 6.2 -58.17 3 4 1 51 274.388 3 ↓
Hi High (pH 8-9.5) 1.19 5.91 -9.62 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.19 6.8 -104.7 4 4 2 52 275.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-5-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-2-one (4S,5S)-4-amino-5-(1-methylindol…

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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) 1.19 6.29 -49.9 3 4 1 51 274.388 3 ↓
Hi High (pH 8-9.5) 1.19 6.03 -9.13 2 4 0 50 273.38 3 ↓
Lo Low (pH 4.5-6) 1.19 6.9 -106.26 4 4 2 52 275.396 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-isopropyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isopropyl-5-(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) 0.98 6.12 -53.68 3 4 1 51 274.388 2 ↓
Hi High (pH 8-9.5) 0.98 5.84 -7.55 2 4 0 50 273.38 2 ↓
Lo Low (pH 4.5-6) 0.98 6.74 -108.58 4 4 2 52 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isopropyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isopropyl-5-(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) 0.98 5.66 -58.76 3 4 1 51 274.388 2 ↓
Hi High (pH 8-9.5) 0.98 5.66 -7.55 2 4 0 50 273.38 2 ↓
Lo Low (pH 4.5-6) 0.98 6.27 -109.03 4 4 2 52 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isopropyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isopropyl-5-(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) 0.98 5.97 -57.67 3 4 1 51 274.388 2 ↓
Hi High (pH 8-9.5) 0.98 5.68 -9.09 2 4 0 50 273.38 2 ↓
Lo Low (pH 4.5-6) 0.98 6.59 -104.06 4 4 2 52 275.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isopropyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isopropyl-5-(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) 0.98 6.09 -53.61 3 4 1 51 274.388 2 ↓
Hi High (pH 8-9.5) 0.98 5.65 -8.47 2 4 0 50 273.38 2 ↓
Lo Low (pH 4.5-6) 0.98 6.69 -108.47 4 4 2 52 275.396 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-tert-butyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.50 6.33 -53.21 3 4 1 51 288.415 2 ↓
Hi High (pH 8-9.5) 1.50 6.01 -7.13 2 4 0 50 287.407 2 ↓
Lo Low (pH 4.5-6) 1.50 6.94 -108.58 4 4 2 52 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-tert-butyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.50 6.16 -57.24 3 4 1 51 288.415 2 ↓
Hi High (pH 8-9.5) 1.50 5.32 -7.57 2 4 0 50 287.407 2 ↓
Lo Low (pH 4.5-6) 1.50 6.77 -103.84 4 4 2 52 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-tert-butyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-tert-butyl-5-(…

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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) 1.50 6.18 -57.18 3 4 1 51 288.415 2 ↓
Hi High (pH 8-9.5) 1.50 5.85 -8.66 2 4 0 50 287.407 2 ↓
Lo Low (pH 4.5-6) 1.50 6.75 -103.67 4 4 2 52 289.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-tert-butyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-tert-butyl-5-(…

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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) 1.50 6.31 -53.1 3 4 1 51 288.415 2 ↓
Hi High (pH 8-9.5) 1.50 5.72 -8.32 2 4 0 50 287.407 2 ↓
Lo Low (pH 4.5-6) 1.50 6.92 -108.58 4 4 2 52 289.423 2 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) 1.43 6.88 -54.46 3 4 1 51 288.415 3 ↓
Hi High (pH 8-9.5) 1.43 6.59 -7.9 2 4 0 50 287.407 3 ↓
Lo Low (pH 4.5-6) 1.43 7.47 -109.77 4 4 2 52 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-isobutyl-5-(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) 1.43 6.59 -58.55 3 4 1 51 288.415 3 ↓
Hi High (pH 8-9.5) 1.43 6.3 -7.66 2 4 0 50 287.407 3 ↓
Lo Low (pH 4.5-6) 1.43 7.19 -108.98 4 4 2 52 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(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) 1.43 6.74 -58.03 3 4 1 51 288.415 3 ↓
Hi High (pH 8-9.5) 1.43 6.45 -9.54 2 4 0 50 287.407 3 ↓
Lo Low (pH 4.5-6) 1.43 7.35 -105.02 4 4 2 52 289.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-isobutyl-5-(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) 1.43 6.94 -49.45 3 4 1 51 288.415 3 ↓
Hi High (pH 8-9.5) 1.43 6.67 -8.51 2 4 0 50 287.407 3 ↓
Lo Low (pH 4.5-6) 1.43 7.55 -106.27 4 4 2 52 289.423 3 ↓

Analogs

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Popular Name: (4R,5R)-4-amino-1-(2-methoxyethyl)-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-(2-methoxyethy…

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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) 0.30 4.52 -56.09 3 5 1 60 290.387 4 ↓
Hi High (pH 8-9.5) 0.30 4.21 -9.99 2 5 0 59 289.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S)-4-amino-1-(2-methoxyethyl)-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-(2-methoxyethy…

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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) 0.30 4.42 -60.87 3 5 1 60 290.387 4 ↓
Hi High (pH 8-9.5) 0.30 4.13 -10.08 2 5 0 59 289.379 4 ↓

Parameters Provided:

ring.id = 531260
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 = 531260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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