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

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Popular Name: 6-(diethylaminomethyl)-N-[(3R)-1-methyl-3-piperidyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-[(3R)-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) 0.65 8.15 -95.45 3 7 2 68 346.479 6 ↓
Mid Mid (pH 6-8) 0.65 6.11 -48.4 2 7 1 67 345.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(diethylaminomethyl)-N-[(3S)-1-methyl-3-piperidyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-[(3S)-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) 0.65 8.15 -95.19 3 7 2 68 346.479 6 ↓
Mid Mid (pH 6-8) 0.65 6.11 -48.54 2 7 1 67 345.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(diethylaminomethyl)-N-[(3R)-3-piperidyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-[(3R)-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) 0.06 5.93 -100.5 4 7 2 80 332.452 6 ↓
Mid Mid (pH 6-8) 0.06 3.87 -53.72 3 7 1 79 331.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(diethylaminomethyl)-N-[(3S)-3-piperidyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-[(3S)-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) 0.06 5.93 -100.15 4 7 2 80 332.452 6 ↓
Mid Mid (pH 6-8) 0.06 3.86 -53.81 3 7 1 79 331.444 6 ↓

Analogs

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Popular Name: N-[(3R)-1-acetyl-3-piperidyl]-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3R)-1-acetyl-3-piperidyl]-6-…

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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) 0.01 7.09 -63.67 2 8 1 84 373.481 6 ↓
Mid Mid (pH 6-8) 0.01 5.07 -27.44 1 8 0 83 372.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-acetyl-3-piperidyl]-6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide N-[(3S)-1-acetyl-3-piperidyl]-6-…

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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) 0.01 7.09 -64.3 2 8 1 84 373.481 6 ↓
Mid Mid (pH 6-8) 0.01 4.99 -19.6 1 8 0 83 372.473 6 ↓

Parameters Provided:

ring.id = 298256
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 = 298256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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