UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(2,3-dihydro-1,4-…

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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) 3.05 6.77 -9.19 2 3 0 46 298.411 2 ↓
Mid Mid (pH 6-8) 3.05 7.04 -51.09 3 3 1 48 299.419 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(2,3-dihydro-1,4-…

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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) 3.05 7.03 -7.56 2 3 0 46 298.411 2 ↓
Mid Mid (pH 6-8) 3.05 7.12 -50.89 3 3 1 48 299.419 2 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone 2-(3-aminophenyl)-1-(2,3-dihydro…

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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) 2.46 7.46 -11.76 2 3 0 46 284.384 2 ↓

Analogs

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Popular Name: 1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-chlorophenyl)ethanone 1-(6-amino-2,3-dihydro-1,4-benzo…

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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) 3.12 7.95 -12.02 2 3 0 46 318.829 2 ↓

Parameters Provided:

ring.id = 30567
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 = 30567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=30567&filter.purchasability=annotated

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