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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 9-methyl-5-morpholino-3-(1-piperidyl)-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene 9-methyl-5-morpholino-3-(1-piper…

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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) 2.03 -4.76 -8.5 0 7 0 59 302.382 2 ↓

Analogs

7450516
7450516

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

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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) 2.74 -3.61 -8.07 0 7 0 59 330.436 2 ↓

Analogs

7450508
7450508

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

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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) 2.74 -3.61 -8.13 0 7 0 59 330.436 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-3-(4-methyl-1-piperidyl)-5-morpholino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene 9-methyl-3-(4-methyl-1-piperidyl…

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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) 2.27 -4.39 -8.3 0 7 0 59 316.409 2 ↓

Analogs

7450636
7450636

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Popular Name: ethyl ethyl

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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) 2.13 -3.64 -10.8 0 9 0 85 374.445 5 ↓

Analogs

7450627
7450627

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Popular Name: ethyl ethyl

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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) 2.13 -3.64 -10.7 0 9 0 85 374.445 5 ↓

Parameters Provided:

ring.id = 5452
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 = 5452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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