UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-N-cyclopropyl-7-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-N-cyclopropyl-7-propyl-2,3,…

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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) 2.84 9.14 -31 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (5S)-N-cyclopropyl-7-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-cyclopropyl-7-propyl-2,3,…

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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) 2.84 9.12 -30.31 2 2 1 26 246.374 4 ↓

Analogs

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Popular Name: (5R)-N-cyclopropyl-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-N-cyclopropyl-8,9-difluoro-…

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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) 1.79 7.08 -41.25 2 2 1 26 240.273 2 ↓

Analogs

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Popular Name: (5S)-N-cyclopropyl-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-cyclopropyl-8,9-difluoro-…

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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) 1.79 7.05 -39.99 2 2 1 26 240.273 2 ↓

Analogs

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Popular Name: (5S)-N-cyclopropyl-6,8-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-cyclopropyl-6,8-difluoro-…

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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) 1.79 6.72 -34.16 2 2 1 26 240.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-cyclopropyl-6,8-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-N-cyclopropyl-6,8-difluoro-…

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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) 1.79 6.32 -33.88 2 2 1 26 240.273 2 ↓

Analogs

53147688
53147688
53147690
53147690

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Popular Name: (5S)-8-bromo-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-8-bromo-N-cyclopropyl-2,3,4…

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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) 2.34 7.54 -33.98 2 2 1 26 283.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-8-bromo-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-8-bromo-N-cyclopropyl-2,3,4…

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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) 2.34 7.56 -34.74 2 2 1 26 283.189 2 ↓

Parameters Provided:

ring.id = 43899
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 = 43899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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