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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: 2-[[[(1S)-2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-4-methyl-1,2,4-triazole-3-thione 2-[[[(1S)-2,2-dimethyl-1-(2-thie…

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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 10.55 -40.53 2 4 1 39 297.473 5 ↓
Hi High (pH 8-9.5) 2.47 9 -12.09 1 4 0 35 296.465 5 ↓

Analogs

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Popular Name: 2-[[[(1R)-2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-4-methyl-1,2,4-triazole-3-thione 2-[[[(1R)-2,2-dimethyl-1-(2-thie…

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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 10.57 -37.23 2 4 1 39 297.473 5 ↓
Hi High (pH 8-9.5) 2.47 9.54 -12.84 1 4 0 35 296.465 5 ↓

Analogs

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Popular Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(5-chloro-2-thienyl)methyl-e…

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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) 3.10 8.78 -10.89 1 4 0 37 330.91 7 ↓
Mid Mid (pH 6-8) 3.10 10.69 -41.53 2 4 1 38 331.918 7 ↓

Analogs

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Popular Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(5-chloro-2-thienyl)methyl-m…

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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) 2.73 8.21 -11.44 1 4 0 37 316.883 6 ↓
Mid Mid (pH 6-8) 2.73 10.53 -43.6 2 4 1 38 317.891 6 ↓

Analogs

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Popular Name: 2-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(5-bromo-2-thienyl)methyl-me…

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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) 2.86 8.32 -11.5 1 4 0 37 361.334 6 ↓
Mid Mid (pH 6-8) 2.86 10.63 -43.76 2 4 1 38 362.342 6 ↓

Analogs

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Popular Name: 2-[[(4-bromo-2-thienyl)methyl-methyl-amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(4-bromo-2-thienyl)methyl-me…

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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) 2.66 8.2 -11.22 1 4 0 37 361.334 6 ↓
Mid Mid (pH 6-8) 2.66 10.51 -42.02 2 4 1 38 362.342 6 ↓

Analogs

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Popular Name: 2-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[methyl-[(1S)-1-(2-thienyl)et…

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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) 2.48 8.12 -10.35 1 4 0 37 296.465 6 ↓
Mid Mid (pH 6-8) 2.48 10.43 -34.21 2 4 1 38 297.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[methyl-[(1R)-1-(2-thienyl)ethyl]amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[methyl-[(1R)-1-(2-thienyl)et…

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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) 2.48 8.15 -11.17 1 4 0 37 296.465 6 ↓
Mid Mid (pH 6-8) 2.48 10.43 -35.44 2 4 1 38 297.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[methyl-[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[methyl-[(1S)-1-(5-methyl-2-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) 2.70 9.01 -11.26 1 4 0 37 310.492 6 ↓
Mid Mid (pH 6-8) 2.70 11.52 -37.03 2 4 1 38 311.5 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[methyl-[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[methyl-[(1R)-1-(5-methyl-2-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) 2.70 8.98 -11.5 1 4 0 37 310.492 6 ↓
Mid Mid (pH 6-8) 2.70 11.26 -35.25 2 4 1 38 311.5 6 ↓

Parameters Provided:

ring.id = 156899
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 = 156899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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