UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine N-(cyclopropylmethyl)-2-(3,5-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) 1.92 7.84 -122.38 3 3 2 30 248.37 5 ↓
Mid Mid (pH 6-8) 1.92 5.77 -43.67 2 3 1 29 247.362 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(3,5-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) 2.60 8.15 -121.24 3 3 2 30 262.397 5 ↓
Mid Mid (pH 6-8) 2.60 6.07 -41.9 2 3 1 29 261.389 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(3,5-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) 2.60 8.25 -120.72 3 3 2 30 262.397 5 ↓
Mid Mid (pH 6-8) 2.60 6.17 -41.64 2 3 1 29 261.389 5 ↓

Parameters Provided:

ring.id = 333669
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 = 333669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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