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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(3R)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chlorophenyl)methyl]-4-oxo-5H-pyrazolo[1,5-a 2-[(3R)-3-(tert-butoxycarbonylam…

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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) 5.61 9.37 -47.83 2 10 -1 132 500.963 7 ↓
Lo Low (pH 4.5-6) 5.61 10.03 -43.62 3 10 0 133 501.971 7 ↓

Analogs

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Popular Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chlorophenyl)methyl]-4-oxo-5H-pyrazolo[1,5-a 2-[(3S)-3-(tert-butoxycarbonylam…

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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) 5.61 9.37 -47.84 2 10 -1 132 500.963 7 ↓
Lo Low (pH 4.5-6) 5.61 10.04 -43.15 3 10 0 133 501.971 7 ↓

Analogs

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Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-6-ethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]carbam [(3S)-1-[3-[(2-chlorophenyl)meth…

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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) 4.79 7.95 -57.82 2 8 -1 106 428.9 5 ↓
Lo Low (pH 4.5-6) 4.79 8.72 -50.15 3 8 0 107 429.908 5 ↓

Analogs

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Popular Name: [(3R)-1-[3-[(2-chlorophenyl)methyl]-6-ethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]carbam [(3R)-1-[3-[(2-chlorophenyl)meth…

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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) 4.79 7.97 -57.96 2 8 -1 106 428.9 5 ↓
Lo Low (pH 4.5-6) 4.79 8.73 -49 3 8 0 107 429.908 5 ↓

Analogs

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Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]c [(3S)-1-[3-[(2-chlorophenyl)meth…

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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) 4.44 7.72 -59.48 2 8 -1 106 428.9 4 ↓
Mid Mid (pH 6-8) 4.44 8.52 -50.24 3 8 0 107 429.908 4 ↓

Analogs

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Popular Name: [(3R)-1-[3-[(2-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]c [(3R)-1-[3-[(2-chlorophenyl)meth…

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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) 4.44 7.74 -59.57 2 8 -1 106 428.9 4 ↓
Mid Mid (pH 6-8) 4.44 8.51 -49.23 3 8 0 107 429.908 4 ↓

Analogs

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Popular Name: 2-[(3R)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chloro-5-fluoro-phenyl)methyl]-4-oxo-5H-pyra 2-[(3R)-3-(tert-butoxycarbonylam…

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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) 5.75 9.44 -45.63 2 10 -1 132 518.953 7 ↓
Lo Low (pH 4.5-6) 5.75 10.11 -47.3 3 10 0 133 519.961 7 ↓

Analogs

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Popular Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chloro-5-fluoro-phenyl)methyl]-4-oxo-5H-pyra 2-[(3S)-3-(tert-butoxycarbonylam…

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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) 5.75 9.45 -45.59 2 10 -1 132 518.953 7 ↓
Lo Low (pH 4.5-6) 5.75 10.11 -46.54 3 10 0 133 519.961 7 ↓

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) 6.88 11.13 -13.78 1 10 0 107 530.025 8 ↓

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) 6.88 11.11 -13.87 1 10 0 107 530.025 8 ↓

Parameters Provided:

ring.id = 195616
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 = 195616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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