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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-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-methyl-2-morpholino-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) -0.31 4.16 -13.94 1 5 0 46 228.321 3 ↓
Mid Mid (pH 6-8) 0.41 4.36 -45.2 0 5 -1 43 227.313 3 ↓
Mid Mid (pH 6-8) -0.31 6.44 -47.3 2 5 1 47 229.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-methyl-2-morpholino-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) -0.31 4.08 -13.71 1 5 0 46 228.321 3 ↓
Mid Mid (pH 6-8) -0.31 6.48 -48.3 2 5 1 47 229.329 3 ↓
Mid Mid (pH 6-8) 0.41 4.39 -45.26 0 5 -1 43 227.313 3 ↓

Analogs

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Popular Name: 5-methyl-4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1S)-1-methyl-2-morp…

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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) -0.23 3.85 -12.36 1 5 0 46 242.348 3 ↓
Hi High (pH 8-9.5) 0.50 3.99 -44.78 0 5 -1 43 241.34 3 ↓
Mid Mid (pH 6-8) 0.50 5.98 -50.79 1 5 0 44 242.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(1R)-1-methyl-2-morp…

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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) -0.23 3.63 -12.21 1 5 0 46 242.348 3 ↓
Hi High (pH 8-9.5) 0.50 3.98 -44.73 0 5 -1 43 241.34 3 ↓
Mid Mid (pH 6-8) -0.23 6.03 -43.26 2 5 1 47 243.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(1S)-1-methyl-2-morph…

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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) 0.35 4.67 -11.72 1 5 0 46 256.375 4 ↓
Hi High (pH 8-9.5) 1.07 4.59 -44.77 0 5 -1 43 255.367 4 ↓
Mid Mid (pH 6-8) 1.07 6.59 -50.68 1 5 0 44 256.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(1R)-1-methyl-2-morph…

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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) 0.35 4.49 -11.59 1 5 0 46 256.375 4 ↓
Hi High (pH 8-9.5) 1.07 4.59 -44.66 0 5 -1 43 255.367 4 ↓
Mid Mid (pH 6-8) 0.35 6.85 -43.17 2 5 1 47 257.383 4 ↓

Analogs

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Popular Name: 5-isopropyl-4-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1S)-1-methyl-2-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) 0.83 4.97 -10.7 1 5 0 46 270.402 4 ↓
Hi High (pH 8-9.5) 1.56 5.02 -44.88 0 5 -1 43 269.394 4 ↓
Mid Mid (pH 6-8) 1.56 7.03 -50.42 1 5 0 44 270.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(1R)-1-methyl-2-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) 0.83 4.76 -11.64 1 5 0 46 270.402 4 ↓
Hi High (pH 8-9.5) 1.56 5.03 -44.84 0 5 -1 43 269.394 4 ↓
Mid Mid (pH 6-8) 1.56 7.03 -50.55 1 5 0 44 270.402 4 ↓

Parameters Provided:

ring.id = 572116
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 = 572116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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