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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-[[(2S)-tetrahydrofuran-2-yl]methyl]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) 0.19 6.06 -45.55 2 5 1 57 243.356 6 ↓
Hi High (pH 8-9.5) 0.19 4.64 -12.13 1 5 0 52 242.348 6 ↓

Analogs

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Popular Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]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) 0.19 6.07 -45.65 2 5 1 57 243.356 6 ↓
Hi High (pH 8-9.5) 0.19 4.74 -11.29 1 5 0 52 242.348 6 ↓

Analogs

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Popular Name: (1S)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(2S)-tetrahydrofuran-2-yl]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) 0.87 6.8 -44.25 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.87 5.53 -11.34 1 5 0 52 256.375 6 ↓

Analogs

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Popular Name: (1R)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(2S)-tetrahydrofuran-2-yl]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) 0.87 6.5 -43.88 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.87 5.31 -11.34 1 5 0 52 256.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(2R)-tetrahydrofuran-2-yl]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) 0.87 6.53 -44.15 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.87 5.29 -11.82 1 5 0 52 256.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(2R)-tetrahydrofuran-2-yl]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) 0.87 6.76 -43.98 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.87 5.87 -10.43 1 5 0 52 256.375 6 ↓

Analogs

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Popular Name: (2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]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) 0.55 6.83 -45.47 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.55 5.41 -11.84 1 5 0 52 256.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]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) 0.55 6.84 -45.32 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.55 5.54 -11 1 5 0 52 256.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]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) 0.55 6.85 -45.43 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.55 5.5 -10.8 1 5 0 52 256.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]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) 0.55 6.84 -45.46 2 5 1 57 257.383 6 ↓
Hi High (pH 8-9.5) 0.55 5.63 -10.66 1 5 0 52 256.375 6 ↓

Parameters Provided:

ring.id = 95412
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 = 95412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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