UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21637376
21637376
4375072
4375072
4375076
4375076

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Popular Name: 3-[(9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl)amino]propan-1-ol 3-[(9-methyl-5-morpholino-2,4,8,…

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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) 0.40 -7.12 -10.24 2 8 0 88 292.343 5 ↓

Analogs

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Popular Name: N-(2,2-dimethoxyethyl)-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-ami N-(2,2-dimethoxyethyl)-9-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) 0.70 -5.1 -10.37 1 9 0 86 322.369 6 ↓

Analogs

7450566
7450566
21930160
21930160
4375046
4375046
4375086
4375086

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Popular Name: N,N-diethyl-9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-amine N,N-diethyl-9-methyl-5-morpholin…

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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) 1.87 -1.85 -8.97 0 7 0 59 290.371 4 ↓

Analogs

7450540
7450540
4375046
4375046

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Popular Name: 2-[methyl-(9-methyl-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl)-amino]ethan 2-[methyl-(9-methyl-5-morpholino…

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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) 0.49 -4.84 -9.87 1 8 0 79 292.343 4 ↓

Analogs

8947071
8947071

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Popular Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide N-[2-(6-methylsulfanyl-4-morphol…

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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) 0.78 3.03 -16.13 1 8 0 85 336.421 5 ↓

Analogs

41528677
41528677
41528680
41528680

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Popular Name: (2S,6R)-2,6-dimethyl-4-(3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-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) 1.54 5.81 -6.3 1 6 0 67 279.369 2 ↓

Analogs

41528680
41528680
41528674
41528674

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Popular Name: (2S,6S)-2,6-dimethyl-4-(3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine (2S,6S)-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) 1.54 5.92 -5.91 1 6 0 67 279.369 2 ↓

Analogs

41528674
41528674
41528677
41528677

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-4-(3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-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) 1.54 5.92 -5.86 1 6 0 67 279.369 2 ↓

Parameters Provided:

ring.id = 5448
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 = 5448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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