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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: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone 2-[(3S)-3-(dimethylamino)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) 0.86 5.81 -40.22 1 4 1 30 236.339 4 ↓
Mid Mid (pH 6-8) 0.86 3.41 -6.92 0 4 0 28 235.331 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone 2-[(3R)-3-(dimethylamino)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) 0.86 5.87 -40 1 4 1 30 236.339 4 ↓
Mid Mid (pH 6-8) 0.86 3.49 -6.94 0 4 0 28 235.331 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone 2-[(3R)-3-(dimethylamino)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) 0.79 4.13 -40.64 2 4 1 41 222.312 4 ↓
Mid Mid (pH 6-8) 0.79 1.72 -7.03 1 4 0 39 221.304 4 ↓

Analogs

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Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone 2-[(3S)-3-(dimethylamino)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) 0.79 4.12 -40.29 2 4 1 41 222.312 4 ↓
Mid Mid (pH 6-8) 0.79 1.73 -7.09 1 4 0 39 221.304 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(3R)-3-(dimethylamino)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) 0.68 4.5 -51 1 7 0 85 266.301 5 ↓
Mid Mid (pH 6-8) 0.68 2.11 -29.76 0 7 -1 83 265.293 5 ↓
Lo Low (pH 4.5-6) 0.68 4.95 -53.13 2 7 1 86 267.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(3S)-3-(dimethylamino)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) 0.68 4.54 -50.84 1 7 0 85 266.301 5 ↓
Mid Mid (pH 6-8) 0.68 2.14 -29.89 0 7 -1 83 265.293 5 ↓
Lo Low (pH 4.5-6) 0.68 4.98 -52.17 2 7 1 86 267.309 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone 2-[(3R)-3-(diethylamino)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) 1.61 6.91 -38.12 1 4 1 30 264.393 6 ↓
Mid Mid (pH 6-8) 1.61 4.89 -6.52 0 4 0 28 263.385 6 ↓

Analogs

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Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone 2-[(3S)-3-(diethylamino)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) 1.61 6.94 -37.37 1 4 1 30 264.393 6 ↓
Mid Mid (pH 6-8) 1.61 4.78 -6.87 0 4 0 28 263.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone 2-[(3R)-3-(diethylamino)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) 1.55 5.19 -38.51 2 4 1 41 250.366 6 ↓
Mid Mid (pH 6-8) 1.55 3.16 -6.66 1 4 0 39 249.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone 2-[(3S)-3-(diethylamino)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) 1.55 5.2 -37.72 2 4 1 41 250.366 6 ↓
Mid Mid (pH 6-8) 1.55 3.04 -7.14 1 4 0 39 249.358 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(3R)-3-(diethylamino)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) 1.43 5.56 -48.15 1 7 0 85 294.355 7 ↓
Mid Mid (pH 6-8) 1.43 3.44 -29.39 0 7 -1 83 293.347 7 ↓
Lo Low (pH 4.5-6) 1.43 5.98 -51.19 2 7 1 86 295.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(3S)-3-(diethylamino)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) 1.43 5.6 -47.91 1 7 0 85 294.355 7 ↓
Mid Mid (pH 6-8) 1.43 3.51 -29.48 0 7 -1 83 293.347 7 ↓
Lo Low (pH 4.5-6) 1.43 6 -50.07 2 7 1 86 295.363 7 ↓

Analogs

42457481
42457481

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Popular Name: 1-(4-nitro-1H-pyrrol-2-yl)-2-pyrrolidin-1-yl-ethanone 1-(4-nitro-1H-pyrrol-2-yl)-2-pyr…

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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) 0.93 5.8 -33.74 1 6 0 81 223.232 4 ↓
Hi High (pH 8-9.5) 0.93 3.42 -30.29 0 6 -1 80 222.224 4 ↓
Lo Low (pH 4.5-6) 0.93 6.25 -52.12 2 6 1 83 224.24 4 ↓

Parameters Provided:

ring.id = 322411
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 = 322411 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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