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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: (4-amino-1-cyclopropyl-pyrrol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (4-amino-1-cyclopropyl-pyrrol-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) -0.36 1.63 -16.52 2 7 0 89 312.395 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.12 3.89 -10.62 2 7 0 81 292.339 3 ↓

Analogs

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Popular Name: 4-(4-amino-1-cyclopropyl-pyrrole-2-carbonyl)piperazine-1-sulfonamide 4-(4-amino-1-cyclopropyl-pyrrole…

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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) -0.97 -0.98 -14.1 4 8 0 115 313.383 3 ↓
Hi High (pH 8-9.5) -0.97 -0.49 -42.92 3 8 -1 112 312.375 3 ↓

Analogs

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) -0.37 0.13 -9.86 3 6 0 75 278.356 4 ↓
Lo Low (pH 4.5-6) -0.37 2.42 -40.99 4 6 1 76 279.364 4 ↓

Analogs

45661810
45661810
45661813
45661813
45662053
45662053

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-(4-isopropylpiperazin-1-yl)methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.94 6.18 -39.88 3 5 1 56 277.392 3 ↓
Mid Mid (pH 6-8) 0.94 4.02 -8 2 5 0 55 276.384 3 ↓

Analogs

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Popular Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropyl-4-nitro-pyrrol-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) 0.81 6.79 -55.9 2 7 1 88 293.347 3 ↓
Mid Mid (pH 6-8) 0.81 5.46 -10.27 1 7 0 83 292.339 3 ↓

Analogs

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Popular Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropyl-4-nitro-pyrrol-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) 0.81 6.49 -59.45 2 7 1 88 293.347 3 ↓
Mid Mid (pH 6-8) 0.81 5.69 -7.93 1 7 0 83 292.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopropyl-4-nitro-pyrrol-2-yl)-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropyl-4-nitro-pyrrol-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) 0.81 7 -50.62 2 7 1 88 293.347 3 ↓
Mid Mid (pH 6-8) 0.81 5.9 -11.56 1 7 0 83 292.339 3 ↓

Analogs

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Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 1.66 6.65 -49.2 2 4 1 42 327.246 2 ↓
Mid Mid (pH 6-8) 1.66 5.33 -6.74 1 4 0 37 326.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 1.66 6.34 -52.57 2 4 1 42 327.246 2 ↓
Mid Mid (pH 6-8) 1.66 5.55 -6.1 1 4 0 37 326.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 1.66 6.86 -46.62 2 4 1 42 327.246 2 ↓
Mid Mid (pH 6-8) 1.66 5.76 -8.01 1 4 0 37 326.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopropylpyrrol-2-yl)-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropylpyrrol-2-yl)-[(2S,…

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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) 0.92 6.02 -48.18 2 4 1 42 248.35 2 ↓
Mid Mid (pH 6-8) 0.92 4.7 -7.34 1 4 0 37 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopropylpyrrol-2-yl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropylpyrrol-2-yl)-[(2S,…

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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) 0.92 5.71 -51.44 2 4 1 42 248.35 2 ↓
Mid Mid (pH 6-8) 0.92 4.92 -7.61 1 4 0 37 247.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-cyclopropylpyrrol-2-yl)-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone (1-cyclopropylpyrrol-2-yl)-[(2R,…

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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) 0.92 6.23 -47.02 2 4 1 42 248.35 2 ↓
Mid Mid (pH 6-8) 0.92 5.12 -8.6 1 4 0 37 247.342 2 ↓

Analogs

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Popular Name: (4-chloro-1-cyclopropyl-pyrrol-2-yl)-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone (4-chloro-1-cyclopropyl-pyrrol-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) 1.52 6.54 -49.42 2 4 1 42 282.795 2 ↓
Mid Mid (pH 6-8) 1.52 5.22 -6.79 1 4 0 37 281.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-1-cyclopropyl-pyrrol-2-yl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (4-chloro-1-cyclopropyl-pyrrol-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) 1.52 6.24 -52.67 2 4 1 42 282.795 2 ↓
Mid Mid (pH 6-8) 1.52 5.44 -6.16 1 4 0 37 281.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-1-cyclopropyl-pyrrol-2-yl)-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone (4-chloro-1-cyclopropyl-pyrrol-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) 1.52 6.75 -46.73 2 4 1 42 282.795 2 ↓
Mid Mid (pH 6-8) 1.52 5.65 -8.05 1 4 0 37 281.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.47 4.87 -7.61 2 5 0 55 290.411 4 ↓
Mid Mid (pH 6-8) 1.47 6.75 -40 3 5 1 56 291.419 4 ↓

Analogs

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.47 4.98 -7.49 2 5 0 55 290.411 4 ↓
Mid Mid (pH 6-8) 1.47 6.76 -39.68 3 5 1 56 291.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 2.80 7.63 -6.25 0 4 0 28 354.292 4 ↓
Mid Mid (pH 6-8) 2.80 9.5 -39.33 1 4 1 30 355.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 2.80 7.73 -6.16 0 4 0 28 354.292 4 ↓
Mid Mid (pH 6-8) 2.80 9.52 -39.16 1 4 1 30 355.3 4 ↓

Parameters Provided:

ring.id = 17023
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 = 17023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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