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Analogs

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

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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) 1.42 5.18 -51.88 1 7 -1 99 288.331 7 ↓
Mid Mid (pH 6-8) 1.24 6.47 -13.42 2 7 0 93 289.339 7 ↓

Analogs

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Popular Name: 3,3,3-trifluoro-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]propanamide 3,3,3-trifluoro-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) 1.24 4.43 -49.19 1 6 -1 90 270.194 4 ↓
Mid Mid (pH 6-8) 1.06 5.34 -17.55 2 6 0 84 271.202 4 ↓

Analogs

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Popular Name: 2-[acetyl(methyl)amino]-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-[acetyl(methyl)amino]-N-[5-(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) -0.56 3.64 -61.25 1 8 -1 110 273.276 4 ↓
Hi High (pH 8-9.5) -0.38 4.8 -61.72 1 8 -1 102 273.276 4 ↓
Mid Mid (pH 6-8) -0.38 4.97 -18.81 2 8 0 104 274.284 4 ↓

Analogs

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Popular Name: 2-(cyanomethylsulfanyl)-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]acetamide 2-(cyanomethylsulfanyl)-N-[5-(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) 0.36 4.73 -54.05 1 7 -1 114 273.301 5 ↓
Mid Mid (pH 6-8) 0.17 6 -23.92 2 7 0 107 274.309 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 4.44 -53.06 1 8 -1 116 274.26 6 ↓
Hi High (pH 8-9.5) -0.04 5.54 -53.33 1 8 -1 108 274.26 6 ↓
Mid Mid (pH 6-8) -0.04 5.7 -14.02 2 8 0 110 275.268 6 ↓

Parameters Provided:

ring.id = 26510
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 = 26510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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