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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)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2S)-N-[(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) -2.49 0.02 -55.21 4 7 1 88 225.276 3 ↓
Mid Mid (pH 6-8) -2.49 -1.32 -13.67 3 7 0 84 224.268 3 ↓

Analogs

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Popular Name: (2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2R)-N-[(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) -2.49 -0.03 -51.84 4 7 1 88 225.276 3 ↓
Mid Mid (pH 6-8) -2.49 -1.39 -13.08 3 7 0 84 224.268 3 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2S)-N-[(1S)-1-(4-methyl-1,2,4-t…

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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) -1.93 0.69 -48.45 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.93 -0.66 -11.36 3 7 0 84 238.295 3 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2S)-N-[(1R)-1-(4-methyl-1,2,4-t…

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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) -1.93 0.68 -48.38 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.93 -0.67 -11.43 3 7 0 84 238.295 3 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2R)-N-[(1S)-1-(4-methyl-1,2,4-t…

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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) -1.93 0.65 -48.69 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.93 -0.71 -10.99 3 7 0 84 238.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2R)-N-[(1R)-1-(4-methyl-1,2,4-t…

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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) -1.93 0.64 -48.93 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.93 -0.72 -11.06 3 7 0 84 238.295 3 ↓

Analogs

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Popular Name: (2S,5R)-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2S,5R)-5-methyl-N-[(4-methyl-1,…

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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) -1.81 0.57 -51.07 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.81 -0.57 -12.79 3 7 0 84 238.295 3 ↓

Analogs

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Popular Name: (2S,5S)-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2S,5S)-5-methyl-N-[(4-methyl-1,…

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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) -1.81 0.64 -53.63 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.81 -0.63 -13.3 3 7 0 84 238.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2R,5R)-5-methyl-N-[(4-methyl-1,…

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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) -1.81 0.69 -49.61 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.81 -0.58 -13.25 3 7 0 84 238.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine-2-carboxamide (2R,5S)-5-methyl-N-[(4-methyl-1,…

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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) -1.81 0.59 -45.88 4 7 1 88 239.303 3 ↓
Mid Mid (pH 6-8) -1.81 -0.67 -13.26 3 7 0 84 238.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2S,5R)-5-methyl-N-[(1S)-1-(4-me…

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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) -1.25 1.25 -42.2 4 7 1 88 253.33 3 ↓
Mid Mid (pH 6-8) -1.25 0.09 -10.61 3 7 0 84 252.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2S,5S)-5-methyl-N-[(1S)-1-(4-me…

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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) -1.25 1.31 -46.61 4 7 1 88 253.33 3 ↓
Mid Mid (pH 6-8) -1.25 0.04 -10.84 3 7 0 84 252.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2R,5R)-5-methyl-N-[(1S)-1-(4-me…

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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) -1.25 1.35 -45.91 4 7 1 88 253.33 3 ↓
Mid Mid (pH 6-8) -1.25 0.09 -11.23 3 7 0 84 252.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (2R,5S)-5-methyl-N-[(1S)-1-(4-me…

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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) -1.25 1.26 -44.11 4 7 1 88 253.33 3 ↓
Mid Mid (pH 6-8) -1.25 -0.01 -10.95 3 7 0 84 252.322 3 ↓

Parameters Provided:

ring.id = 279263
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 = 279263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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