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Analogs

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Popular Name: 5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 5-methyl-6-(1H-1,2,4-triazol-5-y…

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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) 1.14 3.26 -9.7 3 5 0 80 207.262 2 ↓
Hi High (pH 8-9.5) 1.14 2.88 -48.57 2 5 -1 79 206.254 2 ↓

Analogs

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Popular Name: 5-methyl-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 5-methyl-6-[(5-methyl-4H-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) 1.23 3.12 -10.29 3 5 0 80 221.289 2 ↓

Analogs

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Popular Name: 6-chloro-3-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine 6-chloro-3-nitro-2-(1H-1,2,4-tri…

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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) 2.04 5.79 -8.89 1 7 0 100 257.662 3 ↓
Hi High (pH 8-9.5) 2.04 5.41 -43.8 0 7 -1 99 256.654 3 ↓

Analogs

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Popular Name: 2-tert-butoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-tert-butoxy-6-(1H-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) 2.13 5.25 -7.41 3 6 0 90 265.342 4 ↓
Hi High (pH 8-9.5) 2.13 4.92 -41.25 2 6 -1 88 264.334 4 ↓

Analogs

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Popular Name: 2-isobutoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-isobutoxy-6-(1H-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) 2.06 4.01 -8.68 3 6 0 90 265.342 5 ↓
Hi High (pH 8-9.5) 2.06 3.65 -46.67 2 6 -1 88 264.334 5 ↓

Analogs

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Popular Name: 2-propoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-propoxy-6-(1H-1,2,4-triazol-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) 1.82 3.34 -8.96 3 6 0 90 251.315 5 ↓
Hi High (pH 8-9.5) 1.82 2.97 -46.37 2 6 -1 88 250.307 5 ↓

Analogs

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Popular Name: 2-isopropoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-isopropoxy-6-(1H-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) 1.68 3.67 -8.53 3 6 0 90 251.315 4 ↓
Hi High (pH 8-9.5) 1.68 3.14 -44.04 2 6 -1 88 250.307 4 ↓

Analogs

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Popular Name: 2-ethoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-ethoxy-6-(1H-1,2,4-triazol-5-y…

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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) 1.32 2.54 -9.13 3 6 0 90 237.288 4 ↓
Hi High (pH 8-9.5) 1.32 2.17 -46.06 2 6 -1 88 236.28 4 ↓

Analogs

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Popular Name: 2-methoxy-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine 2-methoxy-6-(1H-1,2,4-triazol-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) 0.94 1.59 -9.18 3 6 0 90 223.261 3 ↓
Hi High (pH 8-9.5) 0.94 1.23 -45.3 2 6 -1 88 222.253 3 ↓

Analogs

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Popular Name: 5-chloro-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic 5-chloro-6-[(5-methyl-4H-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) 1.38 5.66 -43.61 1 6 -1 95 269.693 3 ↓

Analogs

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Popular Name: 3-chloro-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic 3-chloro-6-[(5-methyl-4H-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) 1.86 5.62 -55.11 1 6 -1 95 269.693 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic 2-chloro-6-[(5-methyl-4H-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) 2.08 5.64 -42.04 1 6 -1 95 269.693 3 ↓

Analogs

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Popular Name: 2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 2-[(5-methyl-4H-1,2,4-triazol-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) 0.63 2.63 -10.13 3 5 0 80 207.262 2 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 2-ethoxy-6-[(5-methyl-4H-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) 1.41 2.35 -9.81 3 6 0 90 251.315 4 ↓

Analogs

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Popular Name: 2-isopropoxy-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 2-isopropoxy-6-[(5-methyl-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) 1.77 3.36 -9.24 3 6 0 90 265.342 4 ↓

Analogs

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Popular Name: 6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-propoxy-pyridin-3-amine 6-[(5-methyl-4H-1,2,4-triazol-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) 1.91 2.97 -9.63 3 6 0 90 265.342 5 ↓

Analogs

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Popular Name: 2-isobutoxy-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 2-isobutoxy-6-[(5-methyl-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) 2.15 3.65 -9.38 3 6 0 90 279.369 5 ↓

Analogs

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Popular Name: 2-tert-butoxy-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridin-3-amine 2-tert-butoxy-6-[(5-methyl-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) 2.21 4.2 -8.54 3 6 0 90 279.369 4 ↓

Analogs

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Popular Name: N'-hydroxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamidine N'-hydroxy-2-[(5-methyl-4H-1,2,4…

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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) -0.54 1.75 -13.22 4 7 0 113 250.287 3 ↓

Analogs

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Popular Name: N'-hydroxy-6-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamidine N'-hydroxy-6-[(5-methyl-4H-1,2,4…

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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) -0.49 1.52 -10.84 4 7 0 113 250.287 3 ↓

Analogs

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Popular Name: N'-hydroxy-4,6-dimethyl-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamidine N'-hydroxy-4,6-dimethyl-2-[(5-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) 0.28 1.84 -11.25 4 7 0 113 278.341 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamidine 4,6-dimethyl-2-[(5-methyl-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) 0.35 3.12 -39.62 5 6 1 106 263.35 3 ↓

Analogs

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Popular Name: 6-chloro-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine 6-chloro-2-[(5-methyl-4H-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) 2.13 5.66 -9.4 1 7 0 100 271.689 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-pyridyl]methanamine [4,6-dimethyl-2-[(5-methyl-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) 1.15 3.72 -53.88 4 5 1 82 250.351 3 ↓

Analogs

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Popular Name: 5-amino-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-3-carboxamide 5-amino-2-(1H-1,2,4-triazol-5-yl…

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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) -0.49 -0.51 -14.61 5 7 0 124 236.26 3 ↓
Hi High (pH 8-9.5) -0.49 -0.89 -56.74 4 7 -1 122 235.252 3 ↓

Analogs

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Popular Name: 5-amino-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxamide 5-amino-2-[(5-methyl-4H-1,2,4-tr…

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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) -0.40 -0.65 -15.37 5 7 0 124 250.287 3 ↓
Hi High (pH 8-9.5) -0.40 -1.01 -58.9 4 7 -1 122 249.279 3 ↓

Parameters Provided:

ring.id = 23091
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 23091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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