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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Popular Name: (2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propan-1-one (2S)-1-[(3R)-3-(aminomethyl)pyrr…

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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) 0.39 4.93 -88.68 4 4 2 52 255.406 3 ↓

Analogs

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Popular Name: (2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propan-1-one (2S)-1-[(3R)-3-(aminomethyl)pyrr…

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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) 0.39 4.03 -88.8 4 4 2 52 255.406 3 ↓

Analogs

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Popular Name: (2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propan-1-one (2S)-1-[(3R)-3-(aminomethyl)pyrr…

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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) 0.39 4.63 -88.57 4 4 2 52 255.406 3 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-[(2S,5R)-2,5-dime…

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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) 1.08 7.88 -62.97 1 5 0 65 282.384 3 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-[(2S,5S)-2,5-dime…

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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) 1.08 7.04 -65.45 1 5 0 65 282.384 3 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-[(2R,5R)-2,5-dime…

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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) 1.08 7.64 -63.09 1 5 0 65 282.384 3 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-[(2S,5R)-2,5-dime…

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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) 1.41 8.29 -55.97 1 5 0 65 296.411 4 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-[(2S,5R)-2,5-dime…

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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) 1.41 8.2 -59.82 1 5 0 65 296.411 4 ↓

Analogs

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Popular Name: (3S)-1-[(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-[(2S,5R)-2,5-dime…

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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) 1.41 8.47 -55.59 1 5 0 65 296.411 4 ↓

Analogs

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Popular Name: (3R)-1-[(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-[(2S,5R)-2,5-dime…

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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) 1.41 8.39 -61.33 1 5 0 65 296.411 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1S)-1-methyl-2…

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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) 0.42 6.9 -47.74 1 5 0 65 254.33 3 ↓
Hi High (pH 8-9.5) 0.42 4.22 -48.31 0 5 -1 64 253.322 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(1R)-1-methyl-2…

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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) 0.42 6.88 -55.75 1 5 0 65 254.33 3 ↓
Hi High (pH 8-9.5) 0.42 4.22 -54.17 0 5 -1 64 253.322 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-oxo-2-pyrroli…

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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) 0.09 6.56 -45.68 1 5 0 65 240.303 3 ↓
Hi High (pH 8-9.5) 0.09 4.08 -48.08 0 5 -1 64 239.295 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-oxo-2-pyrroli…

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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) 0.09 6.53 -48.78 1 5 0 65 240.303 3 ↓
Hi High (pH 8-9.5) 0.09 4.12 -53.99 0 5 -1 64 239.295 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(1S)-1-methyl-2-…

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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) 0.75 7.45 -38.62 1 5 0 65 268.357 4 ↓
Hi High (pH 8-9.5) 0.75 5.1 -47.25 0 5 -1 64 267.349 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(1S)-1-methyl-2-…

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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) 0.75 7.36 -45.07 1 5 0 65 268.357 4 ↓
Hi High (pH 8-9.5) 0.75 5.01 -53.24 0 5 -1 64 267.349 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-oxo-2-pyrrolid…

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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) 0.42 7.07 -48.01 1 5 0 65 254.33 4 ↓
Hi High (pH 8-9.5) 0.42 4.58 -56.5 0 5 -1 64 253.322 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-oxo-2-pyrrolid…

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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) 0.42 7.02 -43.93 1 5 0 65 254.33 4 ↓
Hi High (pH 8-9.5) 0.42 4.54 -46.84 0 5 -1 64 253.322 4 ↓

Analogs

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Popular Name: (3S)-1-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(1S)-1-methyl-2-oxo-2-py…

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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) 1.31 8.22 -38.51 1 5 0 65 282.384 5 ↓
Hi High (pH 8-9.5) 1.31 5.86 -47.61 0 5 -1 64 281.376 5 ↓

Analogs

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Popular Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(1S)-1-methyl-2-oxo-2-py…

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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) 1.31 8.11 -45.11 1 5 0 65 282.384 5 ↓
Hi High (pH 8-9.5) 1.31 5.76 -53.7 0 5 -1 64 281.376 5 ↓

Analogs

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Popular Name: (3S)-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-oxo-2-pyrrolidin-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) 0.98 7.87 -42.31 1 5 0 65 268.357 5 ↓
Hi High (pH 8-9.5) 0.98 5.47 -47.7 0 5 -1 64 267.349 5 ↓

Analogs

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Popular Name: (3R)-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-oxo-2-pyrrolidin-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) 0.98 7.78 -43.88 1 5 0 65 268.357 5 ↓
Hi High (pH 8-9.5) 0.98 5.29 -47.29 0 5 -1 64 267.349 5 ↓

Parameters Provided:

ring.id = 10404
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 10404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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