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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: (2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-(p-tolyl)pentanenitrile (2S)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.22 13.91 -13.25 3 7 0 118 372.432 7 ↓

Analogs

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Popular Name: (2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-(p-tolyl)pentanenitrile (2R)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.22 13.89 -13.21 3 7 0 118 372.432 7 ↓

Analogs

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Popular Name: (2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-pentanenitrile (2S)-2-(4-amino-6-anilino-1,3,5-…

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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) 2.77 13.23 -13.23 3 7 0 118 358.405 7 ↓

Analogs

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Popular Name: (2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-pentanenitrile (2R)-2-(4-amino-6-anilino-1,3,5-…

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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) 2.77 13.21 -13.27 3 7 0 118 358.405 7 ↓

Analogs

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Popular Name: (2S,5S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-hexanenitrile (2S,5S)-2-(4-amino-6-anilino-1,3…

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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) 3.32 13.66 -13.24 3 7 0 118 372.432 7 ↓

Analogs

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Popular Name: (2S,5R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-hexanenitrile (2S,5R)-2-(4-amino-6-anilino-1,3…

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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) 3.32 13.65 -12.79 3 7 0 118 372.432 7 ↓

Analogs

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Popular Name: (2R,5S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-hexanenitrile (2R,5S)-2-(4-amino-6-anilino-1,3…

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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) 3.32 13.64 -12.69 3 7 0 118 372.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-oxo-5-phenyl-hexanenitrile (2R,5R)-2-(4-amino-6-anilino-1,3…

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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) 3.32 13.64 -13.42 3 7 0 118 372.432 7 ↓

Analogs

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Popular Name: (2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(2-chlorophenyl)-3-oxo-pentanenitrile (2R)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.40 13.68 -13.92 3 7 0 118 392.85 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(2-chlorophenyl)-3-oxo-pentanenitrile (2S)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.40 13.69 -12.81 3 7 0 118 392.85 7 ↓

Analogs

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Popular Name: (2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)-3-oxo-pentanenitrile (2R)-2-(4-amino-6-anilino-1,3,5-…

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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) 2.93 13.34 -14.53 3 7 0 118 376.395 7 ↓

Analogs

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Popular Name: (2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)-3-oxo-pentanenitrile (2S)-2-(4-amino-6-anilino-1,3,5-…

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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) 2.93 13.35 -14.52 3 7 0 118 376.395 7 ↓

Analogs

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Popular Name: (2S)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(m-tolyl)-3-oxo-pentanenitrile (2S)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.19 13.89 -13.17 3 7 0 118 372.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-5-(m-tolyl)-3-oxo-pentanenitrile (2R)-2-(4-amino-6-anilino-1,3,5-…

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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) 3.19 13.88 -13.29 3 7 0 118 372.432 7 ↓

Parameters Provided:

ring.id = 501138
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 = 501138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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