UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)morpholine 4-(1-ethyl-3-methyl-pyrazolo[4,3…

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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) 0.76 5.02 -7.06 0 6 0 56 247.302 2 ↓

Analogs

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Popular Name: (2S,6R)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2S,6R)-4-(1-ethyl-3-methyl-pyra…

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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) 1.48 6.53 -6.77 0 6 0 56 275.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2R,6R)-4-(1-ethyl-3-methyl-pyra…

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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) 1.48 6.68 -6.39 0 6 0 56 275.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(1-ethyl-3-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)-2,6-dimethyl-morpholine (2S,6S)-4-(1-ethyl-3-methyl-pyra…

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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) 1.48 6.62 -6.46 0 6 0 56 275.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidine, 3-methyl-7-(4-morpholinyl)- 1H-Pyrazolo[4,3-d]pyrimidine, 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) 0.31 2.55 -6.11 1 6 0 67 219.248 1 ↓

Analogs

41528101
41528101
41528104
41528104

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-4-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)morpholine (2S,6R)-2,6-dimethyl-4-(3-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) 1.04 4.07 -5.83 1 6 0 67 247.302 1 ↓

Analogs

41528104
41528104
41528098
41528098

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)morpholine (2R,6R)-2,6-dimethyl-4-(3-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) 1.04 4.16 -5.46 1 6 0 67 247.302 1 ↓

Analogs

41528098
41528098
41528101
41528101

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-4-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)morpholine (2S,6S)-2,6-dimethyl-4-(3-methyl…

Find On: PubMed — Wikipedia — Google

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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) 1.04 4.16 -5.47 1 6 0 67 247.302 1 ↓

Parameters Provided:

ring.id = 170929
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 = 170929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=170929&filter.purchasability=annotated

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