UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10497672
10497672

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Popular Name: 7-(4-chlorophenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7 7-(4-chlorophenyl)-4-[(2-methylm…

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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) 2.77 -1.04 -19.81 0 6 0 64 403.891 3 ↓

Analogs

10497671
10497671

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Popular Name: 7-(4-chlorophenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7 7-(4-chlorophenyl)-4-[(2-methylm…

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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) 2.77 -1.05 -19.65 0 6 0 64 403.891 3 ↓

Analogs

10497707
10497707

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Popular Name: 7-(4-fluorophenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7 7-(4-fluorophenyl)-4-[(2-methylm…

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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) 2.26 -0.15 -20.29 0 6 0 64 387.436 3 ↓

Analogs

10497706
10497706

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Popular Name: 7-(4-fluorophenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7 7-(4-fluorophenyl)-4-[(2-methylm…

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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) 2.26 -0.17 -20.13 0 6 0 64 387.436 3 ↓

Analogs

11539068
11539068

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Popular Name: 7-(3,4-dimethylphenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona 7-(3,4-dimethylphenyl)-4-[(2-met…

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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) 2.92 -0.29 -21.18 0 6 0 64 397.5 3 ↓

Analogs

11539067
11539067

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Popular Name: 7-(3,4-dimethylphenyl)-4-[(2-methylmorpholin-4-yl)carbonylmethyl]-9-thia-2,4-diazabicyclo[4.3.0]nona 7-(3,4-dimethylphenyl)-4-[(2-met…

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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) 2.92 -0.29 -21.38 0 6 0 64 397.5 3 ↓

Parameters Provided:

ring.id = 8332
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 = 8332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8332&filter.purchasability=annotated

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