UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36532710
36532710
36532712
36532712
36532714
36532714
15022253
15022253
15022257
15022257

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Popular Name: N-[(2S,3R,4R,5S,6S)-2-[(5-amino-4-oxo-3H-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy N-[(2S,3R,4R,5S,6S)-2-[(5-amino-…

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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) -1.97 -7.27 -17.94 7 11 0 180 380.357 4 ↓

Analogs

15022253
15022253
15022257
15022257

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,3R,4R,5R,6S)-2-[(5-amino-4-oxo-3H-phthalazin-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahy N-[(2S,3R,4R,5R,6S)-2-[(5-amino-…

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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) -1.97 -7.84 -20.58 7 11 0 180 380.357 4 ↓

Analogs

15022253
15022253
15022257
15022257

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Popular Name: 2-Aminophthalylhydrazido-n-acetyl-b-d-glucosaminide 2-Aminophthalylhydrazido-n-acety…

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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) -1.97 -8.36 -17.94 7 11 0 180 380.357 4 ↓

Analogs

15022253
15022253
15022257
15022257

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Aminophthalylhydrazido)-2-acetamido-2-deoxy-¦Â-D-glucopyranoside (2-Aminophthalylhydrazido)-2-ace…

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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) -1.97 -7.8 -22.24 7 11 0 180 380.357 4 ↓

Parameters Provided:

ring.id = 94301
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 = 94301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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