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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40521820
40521820
40521822
40521822
41980001
41980001
14192563
14192563
35135852
35135852

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(1,3,5-trimethylpyrazol-…

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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) 0.32 3.73 -45.28 3 5 1 64 251.354 3 ↓
Hi High (pH 8-9.5) 0.32 3.47 -10.76 2 5 0 59 250.346 3 ↓

Analogs

40521820
40521820
40521822
40521822
41980001
41980001
14192563
14192563
35135852
35135852

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]azepan-2-one (3S)-3-[(1,3,5-trimethylpyrazol-…

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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) 0.32 3.73 -44.11 3 5 1 64 251.354 3 ↓
Hi High (pH 8-9.5) 0.32 3.39 -10.54 2 5 0 59 250.346 3 ↓

Analogs

37800778
37800778
37800779
37800779

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(1-methylpyrazol-4-yl)me…

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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) -0.12 2.82 -44.75 3 5 1 64 223.3 3 ↓
Mid Mid (pH 6-8) -0.12 2.57 -9.56 2 5 0 59 222.292 3 ↓

Analogs

37800778
37800778
37800779
37800779

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one (3S)-3-[(1-methylpyrazol-4-yl)me…

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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) -0.12 2.82 -45.97 3 5 1 64 223.3 3 ↓
Mid Mid (pH 6-8) -0.12 2.47 -11.06 2 5 0 59 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(3,5-dimethyl-1H-pyrazol…

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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) 0.25 2.52 -44.11 4 5 1 74 237.327 3 ↓
Hi High (pH 8-9.5) 0.25 2.27 -9.1 3 5 0 70 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one (3S)-3-[(3,5-dimethyl-1H-pyrazol…

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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) 0.25 2.52 -45.17 4 5 1 74 237.327 3 ↓
Hi High (pH 8-9.5) 0.25 2.17 -10.31 3 5 0 70 236.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1-tert-butylpyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(1-tert-butylpyrazol-4-y…

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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) 1.06 4.84 -43.67 3 5 1 64 265.381 4 ↓
Mid Mid (pH 6-8) 1.06 4.58 -8.68 2 5 0 59 264.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(1-tert-butylpyrazol-4-yl)methylamino]azepan-2-one (3S)-3-[(1-tert-butylpyrazol-4-y…

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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) 1.06 4.84 -45.03 3 5 1 64 265.381 4 ↓
Mid Mid (pH 6-8) 1.06 4.49 -10.21 2 5 0 59 264.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]azepan-2-one (3R)-3-[(3-isopropyl-1-methyl-py…

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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) 1.15 4.66 -45.75 3 5 1 64 265.381 4 ↓
Hi High (pH 8-9.5) 1.15 4.41 -9.86 2 5 0 59 264.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(3-isopropyl-1-methyl-pyrazol-4-yl)methylamino]azepan-2-one (3S)-3-[(3-isopropyl-1-methyl-py…

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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) 1.15 4.55 -44.7 3 5 1 64 265.381 4 ↓
Hi High (pH 8-9.5) 1.15 4.31 -9.99 2 5 0 59 264.373 4 ↓

Parameters Provided:

ring.id = 129073
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 = 129073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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