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

42578808
42578808
42578811
42578811
42578814
42578814

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine (1S)-1-cyclohexyl-N-[(4,5-dimeth…

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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) 1.83 7.81 -47.38 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 1.83 6.72 -9.31 1 4 0 43 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine (1R)-1-cyclohexyl-N-[(4,5-dimeth…

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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) 1.83 7.88 -46.19 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 1.83 6.68 -9.35 1 4 0 43 236.363 4 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (1S)-1-cyclohexyl-N-[(4,5-dimeth…

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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) 2.37 8.55 -46.09 2 4 1 47 251.398 5 ↓
Hi High (pH 8-9.5) 2.37 7.67 -9.01 1 4 0 43 250.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (1R)-1-cyclohexyl-N-[(4,5-dimeth…

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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) 2.37 8.41 -44.6 2 4 1 47 251.398 5 ↓
Hi High (pH 8-9.5) 2.37 7.74 -9.06 1 4 0 43 250.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-cyclohexylethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[(1S)-1-cyclohexylethyl]-…

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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) 2.30 8.27 -40.91 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 2.30 7.27 -9.88 1 4 0 43 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-cyclohexylethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[(1S)-1-cyclohexylethyl]-…

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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) 2.30 8.05 -41.2 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 2.30 7.34 -11.62 1 4 0 43 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-cyclohexylethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1S)-N-[(1R)-1-cyclohexylethyl]-…

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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) 2.30 8.12 -41.37 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 2.30 7.39 -8.81 1 4 0 43 236.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-cyclohexylethyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (1R)-N-[(1R)-1-cyclohexylethyl]-…

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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) 2.30 8.21 -40.78 2 4 1 47 237.371 4 ↓
Hi High (pH 8-9.5) 2.30 7.34 -9.95 1 4 0 43 236.363 4 ↓

Parameters Provided:

ring.id = 221324
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 = 221324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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