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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: 3,4-dimethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3,4-dimethyl-5-[(2S)-pyrrolidin-…

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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 4.06 -41.46 2 4 1 47 167.236 1 ↓
Hi High (pH 8-9.5) -0.20 2.82 -13.46 1 4 0 43 166.228 1 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3,4-dimethyl-5-[(2R)-pyrrolidin-…

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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 4.19 -41.16 2 4 1 47 167.236 1 ↓
Hi High (pH 8-9.5) -0.20 2.84 -10.37 1 4 0 43 166.228 1 ↓

Analogs

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Popular Name: 3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1,2,4-triazole 3-[(2S,4S)-4-methoxypyrrolidin-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) -0.50 3.05 -45.18 2 5 1 57 197.262 2 ↓
Mid Mid (pH 6-8) -0.50 1.78 -16.03 1 5 0 52 196.254 2 ↓

Analogs

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Popular Name: 3-[(2R,4S)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1,2,4-triazole 3-[(2R,4S)-4-methoxypyrrolidin-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) -0.50 3.12 -41.54 2 5 1 57 197.262 2 ↓
Mid Mid (pH 6-8) -0.50 1.74 -10.2 1 5 0 52 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1,2,4-triazole 3-[(2S,4R)-4-methoxypyrrolidin-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) -0.50 3.11 -42.32 2 5 1 57 197.262 2 ↓
Mid Mid (pH 6-8) -0.50 1.73 -12.49 1 5 0 52 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,4R)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1,2,4-triazole 3-[(2R,4R)-4-methoxypyrrolidin-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) -0.50 3.19 -44.45 2 5 1 57 197.262 2 ↓
Mid Mid (pH 6-8) -0.50 1.83 -12.14 1 5 0 52 196.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(2S)-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) 0.17 4.92 -41.09 2 4 1 47 181.263 2 ↓
Hi High (pH 8-9.5) 0.17 3.68 -12.84 1 4 0 43 180.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(2R)-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) 0.17 5.07 -40.16 2 4 1 47 181.263 2 ↓
Hi High (pH 8-9.5) 0.17 3.72 -9.92 1 4 0 43 180.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(2S,4S)-4-methoxypyrr…

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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) -0.13 3.9 -44.82 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) -0.13 2.64 -15.42 1 5 0 52 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(2R,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(2R,4S)-4-methoxypyrr…

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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) -0.13 4.01 -40.45 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) -0.13 2.62 -9.71 1 5 0 52 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(2S,4R)-4-methoxypyrr…

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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) -0.13 3.96 -41.97 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) -0.13 2.58 -11.94 1 5 0 52 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(2R,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(2R,4R)-4-methoxypyrr…

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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) -0.13 4.07 -43.35 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) -0.13 2.71 -11.65 1 5 0 52 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-propyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3-methyl-4-propyl-5-[(2S)-pyrrol…

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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 5.68 -40.79 2 4 1 47 195.29 3 ↓
Hi High (pH 8-9.5) 0.68 4.43 -12.25 1 4 0 43 194.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-propyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-methyl-4-propyl-5-[(2R)-pyrrol…

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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 5.83 -39.91 2 4 1 47 195.29 3 ↓
Hi High (pH 8-9.5) 0.68 4.47 -9.41 1 4 0 43 194.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(2S,4S)-4-methoxypyrrolidin-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) 0.38 4.66 -44.57 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.38 3.4 -14.79 1 5 0 52 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(2R,4S)-4-methoxypyrrolidin-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) 0.38 4.76 -40.21 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.38 3.38 -9.24 1 5 0 52 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(2S,4R)-4-methoxypyrrolidin-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) 0.38 4.73 -41.71 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.38 3.34 -11.38 1 5 0 52 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(2R,4R)-4-methoxypyrrolidin-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) 0.38 4.83 -43.03 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.38 3.46 -11.05 1 5 0 52 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(2S)-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) 0.54 5.01 -39.36 2 4 1 47 195.29 2 ↓
Hi High (pH 8-9.5) 0.54 3.8 -12.62 1 4 0 43 194.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(2R)-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) 0.54 5.14 -39.07 2 4 1 47 195.29 2 ↓
Hi High (pH 8-9.5) 0.54 3.79 -9.57 1 4 0 43 194.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(2S,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-isopropyl-3-[(2S,4S)-4-methoxy…

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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) 0.24 3.99 -42.71 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.24 2.76 -14.99 1 5 0 52 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(2R,4S)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-isopropyl-3-[(2R,4S)-4-methoxy…

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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) 0.24 4.11 -39.28 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.24 2.71 -9.45 1 5 0 52 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(2S,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-isopropyl-3-[(2S,4R)-4-methoxy…

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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) 0.24 4.08 -40.04 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.24 2.72 -11.63 1 5 0 52 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(2R,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1,2,4-triazole 4-isopropyl-3-[(2R,4R)-4-methoxy…

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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) 0.24 4.14 -41.92 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.24 2.78 -11.25 1 5 0 52 224.308 3 ↓

Parameters Provided:

ring.id = 604274
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 = 604274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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