UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(2-nitrophenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[2-(2-nitrophenoxy)ethylsulfan…

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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) 3.28 10.95 -23.64 0 7 0 85 316.342 6 ↓

Analogs

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Popular Name: 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]benzonitrile 3-[2-([1,2,4]triazolo[4,3-a]pyri…

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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) 3.10 9.86 -17.91 0 5 0 63 296.355 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) 4.97 11.56 -15.25 0 6 0 66 431.823 8 ↓

Analogs

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Popular Name: 3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]aniline 3-[2-([1,2,4]triazolo[4,3-a]pyri…

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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) 2.42 7.35 -15.25 2 5 0 65 286.36 5 ↓

Analogs

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Popular Name: 2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]aniline 2-[2-([1,2,4]triazolo[4,3-a]pyri…

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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) 2.80 7.47 -14.41 2 5 0 65 286.36 5 ↓

Analogs

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Popular Name: 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]aniline 4-[2-([1,2,4]triazolo[4,3-a]pyri…

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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) 2.44 7.34 -15.13 2 5 0 65 286.36 5 ↓

Analogs

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Popular Name: [3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]phenyl]methanamine [3-[2-([1,2,4]triazolo[4,3-a]pyr…

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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) 2.53 7.51 -54.57 3 5 1 67 301.395 6 ↓
Hi High (pH 8-9.5) 2.53 7.11 -15.46 2 5 0 65 300.387 6 ↓

Analogs

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Popular Name: [4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]phenyl]methanamine [4-[2-([1,2,4]triazolo[4,3-a]pyr…

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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) 2.55 7.51 -57.58 3 5 1 67 301.395 6 ↓
Hi High (pH 8-9.5) 2.55 7.11 -14.92 2 5 0 65 300.387 6 ↓

Analogs

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Popular Name: [2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethoxy]phenyl]methanamine [2-[2-([1,2,4]triazolo[4,3-a]pyr…

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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) 2.50 7.57 -47.94 3 5 1 67 301.395 6 ↓
Hi High (pH 8-9.5) 2.50 7.15 -15.21 2 5 0 65 300.387 6 ↓

Analogs

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Popular Name: 6,8-dichloro-3-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[4,3-a]pyridine 6,8-dichloro-3-[2-(4-methoxyphen…

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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) 4.66 9.73 -10.87 0 5 0 49 370.261 6 ↓

Parameters Provided:

ring.id = 57519
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 = 57519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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