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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-phenylbenzamide 4-(16,18-dioxo-17-azapentacyclo[…

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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) 4.93 14.31 -14.63 1 5 0 66 470.528 3 ↓

Analogs

9371687
9371687

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-(2-methylphenyl)benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 5.33 15.08 -12.73 1 5 0 66 484.555 3 ↓

Analogs

9371687
9371687

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-(2-methylphenyl)benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 5.33 15.13 -12.73 1 5 0 66 484.555 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-(4-methoxyphenyl)benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 4.99 13.49 -13.8 1 6 0 76 500.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-(4-methoxyphenyl)benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 4.99 13.51 -14.13 1 6 0 76 500.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-[3-(trifluoromethyl)phenyl]benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

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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) 5.80 15.19 -14.93 1 5 0 66 538.525 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]-N-[3-(trifluoromethyl)phenyl]benzenecarboxamide 4-[16,18-dioxo-17-azapentacyclo[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.80 15.23 -14.91 1 5 0 66 538.525 4 ↓

Parameters Provided:

ring.id = 41940
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 = 41940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41940&filter.purchasability=annotated

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