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Analogs

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Popular Name: (1R,5R,6R)-N-(4-morpholinophenyl)bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-(4-morpholinophenyl…

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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) 3.92 7.4 -4.19 1 3 0 24 270.376 3 ↓
Lo Low (pH 4.5-6) 3.92 8.04 -30.41 2 3 1 26 271.384 3 ↓

Analogs

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Popular Name: (1R,5R,6S)-N-(4-morpholinophenyl)bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-(4-morpholinophenyl…

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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) 3.92 6.97 -3.89 1 3 0 24 270.376 3 ↓
Lo Low (pH 4.5-6) 3.92 7.62 -30.66 2 3 1 26 271.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R)-N-(4-morpholinophenyl)bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6R)-N-(4-morpholinophenyl…

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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) 3.92 7.2 -3.97 1 3 0 24 270.376 3 ↓
Lo Low (pH 4.5-6) 3.92 7.86 -30.48 2 3 1 26 271.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S)-N-(4-morpholinophenyl)bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-(4-morpholinophenyl…

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) 3.92 7.08 -3.92 1 3 0 24 270.376 3 ↓
Lo Low (pH 4.5-6) 3.92 7.73 -30.37 2 3 1 26 271.384 3 ↓

Parameters Provided:

ring.id = 550578
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 = 550578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=550578&filter.purchasability=annotated

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