UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35503403
35503403
35503405
35503405
35503408
35503408

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Popular Name: 7-[(S)-methylamino-[(2S)-tetrahydrofuran-2-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-[(2S)-tetrahy…

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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) 1.99 5.69 -45.91 3 4 1 55 275.372 3 ↓

Analogs

35503405
35503405
35503408
35503408
35503400
35503400

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-methylamino-[(2S)-tetrahydrofuran-2-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-[(2S)-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.99 5.41 -48.62 3 4 1 55 275.372 3 ↓

Analogs

35503408
35503408
35503400
35503400
35503403
35503403

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-methylamino-[(2R)-tetrahydrofuran-2-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-[(2R)-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.99 5.42 -48.52 3 4 1 55 275.372 3 ↓

Analogs

35503400
35503400
35503403
35503403
35503405
35503405

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-methylamino-[(2R)-tetrahydrofuran-2-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-[(2R)-tetrahy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.99 5.67 -45.52 3 4 1 55 275.372 3 ↓

Parameters Provided:

ring.id = 18562
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 = 18562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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