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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide 3-[3-(1-naphthyl)-1,4,6,7-tetrah…

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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) 2.17 6.48 -50.98 4 5 1 76 321.404 4 ↓
Mid Mid (pH 6-8) 2.17 3.99 -12.72 3 5 0 75 320.396 4 ↓

Analogs

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Popular Name: N-isopropyl-2-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxo-acetamide N-isopropyl-2-[3-(1-naphthyl)-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) 2.26 7.06 -11.93 2 6 0 78 362.433 3 ↓

Analogs

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Popular Name: 2-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanol 2-[3-(1-naphthyl)-1,4,6,7-tetrah…

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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 6.43 -42.66 3 4 1 53 294.378 3 ↓
Hi High (pH 8-9.5) 2.53 3.9 -8.73 2 4 0 52 293.37 3 ↓

Analogs

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Popular Name: N-isopropyl-3-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide N-isopropyl-3-[3-(1-naphthyl)-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) 3.21 9.6 -50.68 3 5 1 62 363.485 5 ↓
Mid Mid (pH 6-8) 3.21 7.11 -12.3 2 5 0 61 362.477 5 ↓

Analogs

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Popular Name: (2S)-3-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propane-1,2-diol (2S)-3-[3-(1-naphthyl)-1,4,6,7-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) 1.89 4.15 -47.46 4 5 1 74 324.404 4 ↓
Hi High (pH 8-9.5) 1.89 1.63 -10.66 3 5 0 72 323.396 4 ↓

Analogs

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Popular Name: (2R)-3-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propane-1,2-diol (2R)-3-[3-(1-naphthyl)-1,4,6,7-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) 1.89 4.1 -50.31 4 5 1 74 324.404 4 ↓
Hi High (pH 8-9.5) 1.89 1.62 -12.13 3 5 0 72 323.396 4 ↓

Analogs

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Popular Name: 2-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxo-acetamide 2-[3-(1-naphthyl)-1,4,6,7-tetrah…

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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) 1.22 3.88 -12.64 3 6 0 92 320.352 2 ↓

Analogs

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Popular Name: 3-hydroxy-1-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one 3-hydroxy-1-[3-(1-naphthyl)-1,4,…

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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) 2.12 5.4 -16.48 2 5 0 69 321.38 3 ↓

Analogs

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Popular Name: (2S)-2-hydroxy-1-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (2S)-2-hydroxy-1-[3-(1-naphthyl)…

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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 6.3 -17.65 2 5 0 69 321.38 2 ↓

Analogs

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Popular Name: (2R)-2-hydroxy-1-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one (2R)-2-hydroxy-1-[3-(1-naphthyl)…

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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 6.39 -17.81 2 5 0 69 321.38 2 ↓

Analogs

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Popular Name: 3-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanoic 3-[3-(1-naphthyl)-1,4,6,7-tetrah…

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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) 2.68 10.35 -50.29 2 5 0 73 321.38 4 ↓
Hi High (pH 8-9.5) 2.68 7.86 -47.84 1 5 -1 72 320.372 4 ↓

Analogs

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Popular Name: N-isopropyl-N-methyl-2-[3-(1-naphthyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide N-isopropyl-N-methyl-2-[3-(1-nap…

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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) 3.19 10.8 -46.3 2 5 1 53 363.485 4 ↓
Mid Mid (pH 6-8) 3.19 8.37 -11.95 1 5 0 52 362.477 4 ↓

Parameters Provided:

ring.id = 521243
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 = 521243 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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