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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[(1R)-1,2-dimethylpropyl]-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) 1.91 5.09 -10.52 2 6 0 84 305.407 6 ↓

Analogs

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Popular Name: (2S)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-2-[[5-(3-pyridyl)-1H-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) 0.45 1.6 -11.1 3 6 0 98 249.299 4 ↓

Analogs

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

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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) 2.01 5.22 -9.79 2 6 0 84 305.407 5 ↓

Analogs

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Popular Name: (2S)-N-propyl-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-propyl-2-[[5-(3-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) 1.70 4.69 -10.31 2 6 0 84 291.38 6 ↓

Analogs

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Popular Name: 2-[[5-(2-methoxy-3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(2-methoxy-3-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) 0.78 3.44 -44.56 1 7 -1 104 265.274 5 ↓

Analogs

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Popular Name: 5-(5-methyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-methyl-1H-1,2,4-triazol-3-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) 0.15 1.31 -10.07 3 5 0 80 175.195 1 ↓
Lo Low (pH 4.5-6) 0.15 1.72 -39.62 4 5 1 82 176.203 1 ↓

Analogs

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Popular Name: 5-(5-ethyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-ethyl-1H-1,2,4-triazol-3-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) 0.73 1.93 -9.54 3 5 0 80 189.222 2 ↓
Lo Low (pH 4.5-6) 0.73 2.33 -39.44 4 5 1 82 190.23 2 ↓

Analogs

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Popular Name: 5-(5-amino-1H-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-amino-1H-1,2,4-triazol-3-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) -0.13 1.06 -9.95 5 6 0 107 176.183 1 ↓
Lo Low (pH 4.5-6) -0.13 1.52 -33.23 6 6 1 108 177.191 1 ↓

Analogs

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Popular Name: 5-(5-isopropyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-isopropyl-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) 1.21 2.46 -8.9 3 5 0 80 203.249 2 ↓
Lo Low (pH 4.5-6) 1.21 2.8 -36.77 4 5 1 82 204.257 2 ↓

Analogs

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Popular Name: 5-(5-propyl-1H-1,2,4-triazol-3-yl)pyridin-3-amine 5-(5-propyl-1H-1,2,4-triazol-3-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) 1.23 2.7 -9.16 3 5 0 80 203.249 3 ↓
Lo Low (pH 4.5-6) 1.23 3.11 -36.88 4 5 1 82 204.257 3 ↓

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) 1.58 5.61 -8.36 1 6 0 81 264.31 5 ↓
Hi High (pH 8-9.5) 1.58 5.27 -41.69 0 6 -1 79 263.302 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) 1.58 5.6 -8.39 1 6 0 81 264.31 5 ↓
Hi High (pH 8-9.5) 1.58 5.25 -41.58 0 6 -1 79 263.302 5 ↓

Analogs

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Popular Name: 3-[3-(2-isopropoxyethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridine 3-[3-(2-isopropoxyethylsulfanyl)…

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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 5.48 -8.27 1 5 0 64 264.354 6 ↓

Parameters Provided:

ring.id = 26511
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 = 26511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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