UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42450585
42450585

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Popular Name: N7-cyclopropyl-N7-ethyl-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-cyclopropyl-N7-ethyl-2,3-dihy…

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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) 1.70 5.2 -5.05 2 4 0 48 234.299 3 ↓

Analogs

20383549
20383549
19868110
19868110
19916292
19916292

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Popular Name: N7-cyclopropyl-N7-methyl-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-cyclopropyl-N7-methyl-2,3-dih…

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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) 1.33 4.23 -5.26 2 4 0 48 220.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N7-cyclopropyl-N7-propyl-2,3-dihydro-1,4-benzodioxine-6,7-diamine N7-cyclopropyl-N7-propyl-2,3-dih…

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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) 2.20 6.02 -5.31 2 4 0 48 248.326 4 ↓

Analogs

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Popular Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopropyl-amino]ethanol 2-[(6-amino-2,3-dihydro-1,4-benz…

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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) 0.69 2.34 -5.96 3 5 0 68 250.298 4 ↓

Parameters Provided:

ring.id = 137775
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 = 137775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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