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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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thienylmethyl)ethanamine 2-[(4-methyl-1,2,4-triazol-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) 1.46 7.83 -49.27 2 4 1 47 255.392 6 ↓
Mid Mid (pH 6-8) 1.46 6.48 -11.24 1 4 0 43 254.384 6 ↓

Analogs

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Popular Name: (2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thienylmethyl)propan-1-amine (2S)-2-[(4-methyl-1,2,4-triazol-…

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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 8.61 -48.97 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 1.82 7.24 -10.83 1 4 0 43 268.411 6 ↓

Analogs

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Popular Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thienylmethyl)propan-1-amine (2R)-2-[(4-methyl-1,2,4-triazol-…

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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 8.61 -48.99 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 1.82 7.37 -10.64 1 4 0 43 268.411 6 ↓

Analogs

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Popular Name: N-[(3-methyl-2-thienyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine N-[(3-methyl-2-thienyl)methyl]-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) 1.84 8.41 -49.24 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 1.84 7.04 -11.64 1 4 0 43 268.411 6 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 2.26 8.45 -53.68 2 4 1 47 289.837 6 ↓
Mid Mid (pH 6-8) 2.26 7.1 -11.18 1 4 0 43 288.829 6 ↓

Analogs

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Popular Name: N-[(5-methyl-2-thienyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine N-[(5-methyl-2-thienyl)methyl]-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) 1.68 8.66 -49.24 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 1.68 7.31 -11.79 1 4 0 43 268.411 6 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 2.20 8.44 -52.41 2 4 1 47 334.288 6 ↓
Mid Mid (pH 6-8) 2.20 7.09 -11.38 1 4 0 43 333.28 6 ↓

Analogs

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Popular Name: (1S)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-[(4-methyl-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) 2.02 8.35 -46.07 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 2.02 7.13 -11.05 1 4 0 43 268.411 6 ↓

Analogs

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Popular Name: (1R)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-thienyl)ethanamine (1R)-N-[2-[(4-methyl-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) 2.02 8.34 -46.08 2 4 1 47 269.419 6 ↓
Mid Mid (pH 6-8) 2.02 7.16 -11.53 1 4 0 43 268.411 6 ↓

Parameters Provided:

ring.id = 95394
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 = 95394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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