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Popular Name: 2-[[5-[(2-hydroxyphenyl)methylamino]pentylamino]methyl]phenol 2-[[5-[(2-hydroxyphenyl)methylam…

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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) 3.61 5.17 -98.03 6 4 2 74 316.445 10 ↓
Hi High (pH 8-9.5) 3.61 5.92 -80.01 5 4 1 76 315.437 10 ↓

Analogs

37984969
37984969

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Popular Name: 3-[[5-[(3-hydroxyphenyl)methylamino]pentylamino]methyl]phenol 3-[[5-[(3-hydroxyphenyl)methylam…

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) 2.72 4.97 -106.79 6 4 2 74 316.445 10 ↓
Hi High (pH 8-9.5) 2.72 3.62 -46.86 5 4 1 69 315.437 10 ↓
Hi High (pH 8-9.5) 2.72 5.74 -111.62 5 4 1 76 315.437 10 ↓

Parameters Provided:

ring.id = 14997
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 = 14997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14997&filter.purchasability=annotated

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