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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: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-methyl-5-nitro-pyridin-2-amine N-[[(3S)-1-isopropylpyrrolidin-3…

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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) 2.61 8.49 -42.68 2 6 1 75 279.364 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-methyl-5-nitro-pyridin-2-amine N-[[(3R)-1-isopropylpyrrolidin-3…

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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) 2.61 8.54 -42.52 2 6 1 75 279.364 5 ↓

Analogs

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Popular Name: N2-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-methyl-pyridine-2,5-diamine N2-[[(3R)-1-ethylpyrrolidin-3-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) 1.83 5.6 -79.89 5 4 2 57 236.363 4 ↓
Mid Mid (pH 6-8) 1.83 5.24 -35.66 4 4 1 55 235.355 4 ↓

Analogs

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Popular Name: N2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methyl-pyridine-2,5-diamine N2-[[(3S)-1-ethylpyrrolidin-3-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) 1.83 5.61 -79.71 5 4 2 57 236.363 4 ↓
Mid Mid (pH 6-8) 1.83 5.26 -35.94 4 4 1 55 235.355 4 ↓

Analogs

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Popular Name: 3-methyl-N2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2,5-diamine 3-methyl-N2-[[(3S)-1-methylpyrro…

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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) 1.46 4.86 -79.53 5 4 2 57 222.336 3 ↓
Mid Mid (pH 6-8) 1.46 4.5 -37.11 4 4 1 55 221.328 3 ↓

Analogs

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Popular Name: 3-methyl-N2-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyridine-2,5-diamine 3-methyl-N2-[[(3R)-1-methylpyrro…

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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) 1.46 4.83 -79.8 5 4 2 57 222.336 3 ↓
Mid Mid (pH 6-8) 1.46 4.48 -36.69 4 4 1 55 221.328 3 ↓

Analogs

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Popular Name: N2-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-methyl-pyridine-2,5-diamine N2-[[(3S)-1-isopropylpyrrolidin-…

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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) 2.13 6.04 -78.94 5 4 2 57 250.39 4 ↓
Mid Mid (pH 6-8) 2.13 5.68 -34.93 4 4 1 55 249.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-methyl-pyridine-2,5-diamine N2-[[(3R)-1-isopropylpyrrolidin-…

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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) 2.13 6.07 -79.01 5 4 2 57 250.39 4 ↓
Mid Mid (pH 6-8) 2.13 5.71 -34.69 4 4 1 55 249.382 4 ↓

Analogs

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Popular Name: N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-fluoro-pyridin-2-amine N-[[(3R)-1-ethylpyrrolidin-3-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) 1.92 6.68 -35.03 2 3 1 29 224.303 4 ↓
Lo Low (pH 4.5-6) 1.92 7.05 -86 3 3 2 31 225.311 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-fluoro-pyridin-2-amine N-[[(3S)-1-ethylpyrrolidin-3-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) 1.92 6.72 -35.41 2 3 1 29 224.303 4 ↓
Lo Low (pH 4.5-6) 1.92 7.07 -84.93 3 3 2 31 225.311 4 ↓

Analogs

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Popular Name: 3-fluoro-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3S)-1-(2,2,2-trifl…

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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) 2.47 4.62 -5.96 1 3 0 28 277.265 5 ↓
Mid Mid (pH 6-8) 2.47 6.95 -41.44 2 3 1 29 278.273 5 ↓
Lo Low (pH 4.5-6) 2.47 7.32 -94.17 3 3 2 31 279.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3R)-1-(2,2,2-trifl…

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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) 2.47 4.58 -6.27 1 3 0 28 277.265 5 ↓
Mid Mid (pH 6-8) 2.47 6.91 -41.71 2 3 1 29 278.273 5 ↓
Lo Low (pH 4.5-6) 2.47 7.27 -94 3 3 2 31 279.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3R)-1-methylpyrrol…

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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) 1.54 5.96 -36.15 2 3 1 29 210.276 3 ↓
Lo Low (pH 4.5-6) 1.54 6.33 -85 3 3 2 31 211.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3S)-1-methylpyrrol…

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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) 1.54 5.99 -36.37 2 3 1 29 210.276 3 ↓
Lo Low (pH 4.5-6) 1.54 6.35 -84.7 3 3 2 31 211.284 3 ↓

Analogs

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Popular Name: 3-fluoro-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3R)-1-isopropylpyr…

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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) 2.22 7.2 -33.99 2 3 1 29 238.33 4 ↓
Lo Low (pH 4.5-6) 2.22 7.57 -84.65 3 3 2 31 239.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]pyridin-2-amine 3-fluoro-N-[[(3S)-1-isopropylpyr…

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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) 2.22 7.2 -34.1 2 3 1 29 238.33 4 ↓
Lo Low (pH 4.5-6) 2.22 7.57 -84.2 3 3 2 31 239.338 4 ↓

Analogs

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Popular Name: 6-bromo-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]pyridin-2-amine 6-bromo-N-[[(3R)-1-isopropylpyrr…

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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) 3.25 7.28 -38.59 2 3 1 29 299.236 4 ↓

Analogs

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Popular Name: 6-bromo-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]pyridin-2-amine 6-bromo-N-[[(3S)-1-isopropylpyrr…

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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) 3.25 7.32 -38.35 2 3 1 29 299.236 4 ↓

Analogs

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Popular Name: N-carbamoyl-4-[(3S)-3-[[(3-cyano-2-pyridyl)amino]methyl]pyrrolidin-1-yl]butanamide N-carbamoyl-4-[(3S)-3-[[(3-cyano…

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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 4.85 -58.57 5 8 1 125 331.4 7 ↓

Analogs

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Popular Name: N-carbamoyl-4-[(3R)-3-[[(3-cyano-2-pyridyl)amino]methyl]pyrrolidin-1-yl]butanamide N-carbamoyl-4-[(3R)-3-[[(3-cyano…

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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 4.81 -58.47 5 8 1 125 331.4 7 ↓

Analogs

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Popular Name: 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile 6-[[(3S)-1-(2,2,2-trifluoroethyl…

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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) 2.18 4.53 -10.49 1 4 0 52 284.285 5 ↓
Mid Mid (pH 6-8) 2.18 6.86 -50.81 2 4 1 53 285.293 5 ↓

Analogs

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Popular Name: 6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile 6-[[(3R)-1-(2,2,2-trifluoroethyl…

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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) 2.18 4.46 -10.59 1 4 0 52 284.285 5 ↓
Mid Mid (pH 6-8) 2.18 6.88 -51.14 2 4 1 53 285.293 5 ↓

Analogs

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Popular Name: 5-amino-2-[[(3R)-1-ethylpyrrolidin-3-yl]methylamino]pyridine-3-carboxamide 5-amino-2-[[(3R)-1-ethylpyrrolid…

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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) 0.20 1.61 -36.11 6 6 1 98 264.353 5 ↓
Lo Low (pH 4.5-6) 0.20 1.98 -82.97 7 6 2 100 265.361 5 ↓

Analogs

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Popular Name: 5-amino-2-[[(3S)-1-ethylpyrrolidin-3-yl]methylamino]pyridine-3-carboxamide 5-amino-2-[[(3S)-1-ethylpyrrolid…

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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) 0.20 1.62 -36.2 6 6 1 98 264.353 5 ↓
Lo Low (pH 4.5-6) 0.20 1.99 -82.72 7 6 2 100 265.361 5 ↓

Analogs

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Popular Name: 5-amino-2-[[(3R)-1-methylpyrrolidin-3-yl]methylamino]pyridine-3-carboxamide 5-amino-2-[[(3R)-1-methylpyrroli…

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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) -0.17 0.89 -37.1 6 6 1 98 250.326 4 ↓
Lo Low (pH 4.5-6) -0.17 1.26 -83.83 7 6 2 100 251.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[[(3S)-1-methylpyrrolidin-3-yl]methylamino]pyridine-3-carboxamide 5-amino-2-[[(3S)-1-methylpyrroli…

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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) -0.17 0.9 -37.27 6 6 1 98 250.326 4 ↓
Lo Low (pH 4.5-6) -0.17 1.26 -82.58 7 6 2 100 251.334 4 ↓

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 22452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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