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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-methoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]propanamide (2S)-2-methoxy-N-[5-(2-pyridyl)-…

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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) 0.21 4.95 -16.99 2 7 0 93 247.258 4 ↓
Hi High (pH 8-9.5) 0.39 3.14 -56.34 1 7 -1 99 246.25 4 ↓
Mid Mid (pH 6-8) 0.21 4.79 -57.83 1 7 -1 91 246.25 4 ↓

Analogs

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Popular Name: (2R)-2-methoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]propanamide (2R)-2-methoxy-N-[5-(2-pyridyl)-…

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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) 0.21 4.94 -16.97 2 7 0 93 247.258 4 ↓
Hi High (pH 8-9.5) 0.39 3.14 -56.36 1 7 -1 99 246.25 4 ↓
Mid Mid (pH 6-8) 0.21 4.79 -57.81 1 7 -1 91 246.25 4 ↓

Analogs

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Popular Name: 2-(methanesulfonamido)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(methanesulfonamido)-N-[5-(2-p…

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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) -0.61 0.41 -24.58 3 9 0 130 296.312 5 ↓
Hi High (pH 8-9.5) -0.61 0.23 -62.64 2 9 -1 128 295.304 5 ↓
Hi High (pH 8-9.5) -0.79 -0.76 -57.23 2 9 -1 136 295.304 5 ↓

Analogs

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Popular Name: 2-ethylsulfonyl-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-ethylsulfonyl-N-[5-(2-pyridyl)…

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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) -0.36 2.86 -30.82 2 8 0 118 295.324 5 ↓
Mid Mid (pH 6-8) -0.18 1.49 -64.29 1 8 -1 124 294.316 5 ↓
Mid Mid (pH 6-8) -0.36 2.68 -72.07 1 8 -1 116 294.316 5 ↓

Analogs

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Popular Name: methyl methyl

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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) -0.14 2.02 -15.04 3 9 0 122 276.256 5 ↓
Hi High (pH 8-9.5) -0.14 1.84 -52.15 2 9 -1 120 275.248 5 ↓
Hi High (pH 8-9.5) -0.32 0.86 -50.3 2 9 -1 128 275.248 5 ↓

Analogs

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Popular Name: 4-methoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]butanamide 4-methoxy-N-[5-(2-pyridyl)-4H-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) 0.39 4.76 -17.05 2 7 0 93 261.285 6 ↓
Hi High (pH 8-9.5) 0.39 4.59 -57.49 1 7 -1 91 260.277 6 ↓

Analogs

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Popular Name: 4-ethoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]butanamide 4-ethoxy-N-[5-(2-pyridyl)-4H-1,2…

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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) 0.76 5.73 -17.07 2 7 0 93 275.312 7 ↓
Hi High (pH 8-9.5) 0.76 5.55 -57.58 1 7 -1 91 274.304 7 ↓

Analogs

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Popular Name: (2E,4E)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]hexa-2,4-dienamide (2E,4E)-N-[5-(2-pyridyl)-4H-1,2,…

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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) 1.27 6.95 -14.12 2 6 0 84 255.281 4 ↓
Hi High (pH 8-9.5) 1.46 5.29 -55.87 1 6 -1 90 254.273 4 ↓
Mid Mid (pH 6-8) 1.27 6.79 -56.48 1 6 -1 82 254.273 4 ↓

Analogs

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Popular Name: 2-methoxy-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-methoxy-N-[5-(2-pyridyl)-4H-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) -0.15 4.24 -17.44 2 7 0 93 233.231 4 ↓
Hi High (pH 8-9.5) -0.15 4.07 -57.89 1 7 -1 91 232.223 4 ↓
Hi High (pH 8-9.5) 0.03 1.84 -53.79 1 7 -1 99 232.223 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide N-[5-(2-pyridyl)-4H-1,2,4-triazo…

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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) -0.10 4.11 -15.16 2 6 0 84 203.205 2 ↓
Hi High (pH 8-9.5) -0.10 3.93 -55.96 1 6 -1 82 202.197 2 ↓

Parameters Provided:

ring.id = 21564
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 = 21564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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