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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-(4-methoxy-1-piperidyl)-1,2,4-triazole-3-thiol 4-cyclopropyl-5-(4-methoxy-1-pip…

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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 7.61 -10.97 1 5 0 46 254.359 3 ↓
Mid Mid (pH 6-8) 0.60 8.09 -48.37 0 5 -1 43 253.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-[4-(dimethylamino)-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[4-(dimethylamin…

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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) 0.65 9.62 -49.99 2 5 1 41 268.41 3 ↓
Mid Mid (pH 6-8) 1.38 10.1 -72.87 1 5 0 38 267.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-[(3R)-3-ethyl-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[(3R)-3-ethyl-1-…

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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) 1.89 9.84 -8.89 1 4 0 37 252.387 3 ↓
Mid Mid (pH 6-8) 2.61 10.33 -47.83 0 4 -1 34 251.379 3 ↓
Mid Mid (pH 6-8) 2.61 10.15 -39.82 1 4 0 35 252.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-[(3S)-3-ethyl-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[(3S)-3-ethyl-1-…

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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) 1.89 9.84 -8.75 1 4 0 37 252.387 3 ↓
Mid Mid (pH 6-8) 2.61 10.31 -47.33 0 4 -1 34 251.379 3 ↓
Mid Mid (pH 6-8) 2.61 10.15 -39.74 1 4 0 35 252.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-(4-methyl-1-piperidyl)-2-[[methyl(propyl)amino]methyl]-1,2,4-triazole-3-thione 4-cyclopropyl-5-(4-methyl-1-pipe…

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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) 2.35 14.1 -34.11 1 5 1 30 324.518 6 ↓
Hi High (pH 8-9.5) 2.35 11.62 -9.13 0 5 0 29 323.51 6 ↓

Analogs

12505178
12505178
42447239
42447239

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-(4-ethyl-4-methyl-1-piperidyl)-1,2,4-triazole-3-thiol 4-cyclopropyl-5-(4-ethyl-4-methy…

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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 9.98 -8.71 1 4 0 37 266.414 3 ↓
Mid Mid (pH 6-8) 2.86 10.35 -46.71 0 4 -1 34 265.406 3 ↓

Analogs

12505178
12505178
42447239
42447239

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-(4,4-diethyl-1-piperidyl)-1,2,4-triazole-3-thiol 4-cyclopropyl-5-(4,4-diethyl-1-p…

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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) 2.46 10.46 -8.51 1 4 0 37 280.441 4 ↓
Mid Mid (pH 6-8) 3.19 10.9 -46.83 0 4 -1 34 279.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-cyclopropyl-3-(4-methyl-1-piperidyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-amino]acetonitr 2-[[4-cyclopropyl-3-(4-methyl-1-…

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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 11.31 -12.73 0 6 0 53 348.52 7 ↓

Analogs

50347788
50347788
50905051
50905051
61821160
61821160
62955372
62955372
62955377
62955377

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-5-(4-ethyl-1-piperidyl)-1,2,4-triazole-3-thiol 4-cyclopropyl-5-(4-ethyl-1-piper…

Find On: PubMed — Wikipedia — Google

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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) 2.07 9.86 -8.94 1 4 0 37 252.387 3 ↓
Mid Mid (pH 6-8) 2.80 10.34 -47.34 0 4 -1 34 251.379 3 ↓

Parameters Provided:

ring.id = 114319
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 = 114319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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