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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: 1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopentanamine 1-(5-ethyl-2-methyl-1,2,4-triazo…

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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) 1.07 3.64 -48.56 3 4 1 58 195.29 2 ↓
Hi High (pH 8-9.5) 1.07 3.43 -6.82 2 4 0 57 194.282 2 ↓

Analogs

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Popular Name: 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclopentanamine 1-(2-methyl-5-propyl-1,2,4-triaz…

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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) 1.58 4.41 -48.51 3 4 1 58 209.317 3 ↓
Hi High (pH 8-9.5) 1.58 4.2 -6.59 2 4 0 57 208.309 3 ↓

Analogs

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Popular Name: 1-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentanamine 1-(5-isopropyl-2-methyl-1,2,4-tr…

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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) 1.56 4.09 -48.45 3 4 1 58 209.317 2 ↓
Hi High (pH 8-9.5) 1.56 3.88 -6.7 2 4 0 57 208.309 2 ↓

Analogs

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Popular Name: 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentanamine 1-(5-tert-butyl-2-methyl-1,2,4-t…

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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) 2.23 4.65 -48.13 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 2.23 4.43 -6.54 2 4 0 57 222.336 2 ↓

Analogs

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Popular Name: 1-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)cyclopentanamine 1-(5-isobutyl-2-methyl-1,2,4-tri…

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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) 1.82 4.87 -48.06 3 4 1 58 223.344 3 ↓
Hi High (pH 8-9.5) 1.82 4.71 -6.2 2 4 0 57 222.336 3 ↓

Analogs

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Popular Name: 1-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N,N-dimethyl-methanamine 1-(3-cyclopentyl-1H-1,2,4-triazo…

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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 5.68 -32.17 2 4 1 46 195.29 3 ↓
Mid Mid (pH 6-8) 0.79 3.3 -5.64 1 4 0 45 194.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N,N-dimethyl-ethanamine 2-(3-cyclopentyl-1H-1,2,4-triazo…

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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) 1.19 6.51 -35.06 2 4 1 46 209.317 4 ↓
Hi High (pH 8-9.5) 1.19 4.02 -5.41 1 4 0 45 208.309 4 ↓

Analogs

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Popular Name: 4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)butan-1-amine 4-(5-cyclopentyl-1H-1,2,4-triazo…

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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) 0.51 4.16 -44.76 4 4 1 69 209.317 5 ↓

Analogs

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Popular Name: (2S)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)butan-2-amine (2S)-4-(5-cyclopentyl-1H-1,2,4-t…

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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) 0.64 4.07 -43.27 4 4 1 69 209.317 4 ↓

Analogs

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Popular Name: (2R)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)butan-2-amine (2R)-4-(5-cyclopentyl-1H-1,2,4-t…

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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) 0.64 4.07 -43.28 4 4 1 69 209.317 4 ↓

Parameters Provided:

ring.id = 143356
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 = 143356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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