UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]azepan-2-one 1-[(2R)-2-cyclopropyl-2-(methyla…

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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) 1.72 5.42 -37.44 2 3 1 37 211.329 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]azepan-2-one 1-[(2S)-2-cyclopropyl-2-(methyla…

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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) 1.72 5.91 -41.34 2 3 1 37 211.329 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]azepan-2-one 1-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 2.10 6.77 -30.36 2 3 1 37 225.356 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]azepan-2-one 1-[(2S)-2-cyclopropyl-2-(ethylam…

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) 2.10 6.73 -38.84 2 3 1 37 225.356 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyclopropyl-ethyl]azepan-2-one 1-[(2R)-2-amino-2-cyclopropyl-et…

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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) 0.81 4.63 -33.81 3 3 1 48 197.302 3 ↓
Hi High (pH 8-9.5) 0.81 4.29 -5.65 2 3 0 46 196.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-amino-2-cyclopropyl-ethyl]azepan-2-one 1-[(2S)-2-amino-2-cyclopropyl-et…

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) 0.81 4.82 -37.3 3 3 1 48 197.302 3 ↓
Hi High (pH 8-9.5) 0.81 4.7 -7.19 2 3 0 46 196.294 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]azepan-2-one 1-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) 1.30 4.35 -7.42 1 3 0 41 197.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]azepan-2-one 1-[(2S)-2-cyclopropyl-2-hydroxy-…

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) 1.30 4.09 -8.82 1 3 0 41 197.278 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]azepan-2-one 1-[(2R)-2-cyclopropyl-2-(propyla…

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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) 2.60 7.52 -30.89 2 3 1 37 239.383 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]azepan-2-one 1-[(2S)-2-cyclopropyl-2-(propyla…

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) 2.60 7.49 -39.31 2 3 1 37 239.383 6 ↓

Parameters Provided:

ring.id = 246144
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 = 246144 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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