UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: azepan-1-yl-(1,3-dimethylpyrazol-4-yl)methanone azepan-1-yl-(1,3-dimethylpyrazol…

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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) 0.92 5.61 -11.72 0 4 0 38 221.304 1 ↓

Analogs

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Popular Name: azepan-1-yl-(1-isopropyl-3-methyl-pyrazol-4-yl)methanone azepan-1-yl-(1-isopropyl-3-methy…

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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) 1.66 6.99 -11.08 0 4 0 38 249.358 2 ↓

Analogs

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Popular Name: azepan-1-yl-(3-tert-butyl-1-methyl-pyrazol-4-yl)methanone azepan-1-yl-(3-tert-butyl-1-meth…

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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) 2.64 1.84 -9.99 0 4 0 38 263.385 2 ↓

Analogs

37841603
37841603
37841605
37841605

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Popular Name: 1H-azepine, hexahydro-1-(1H-pyrazol-4-ylcarbonyl)- 1H-azepine, hexahydro-1-(1H-pyra…

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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) 0.63 3.84 -8.96 1 4 0 49 193.25 1 ↓

Analogs

37841975
37841975

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Popular Name: azepan-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone azepan-1-yl-(3,5-dimethyl-1H-pyr…

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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) 1.07 5.05 -9.02 1 4 0 49 221.304 1 ↓

Analogs

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Popular Name: azepan-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone azepan-1-yl-(1,3,5-trimethylpyra…

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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) 1.14 1.16 -10.53 0 4 0 38 235.331 1 ↓

Analogs

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Popular Name: (5-amino-1H-pyrazol-4-yl)-[(2R)-2-methylazepan-1-yl]methanone (5-amino-1H-pyrazol-4-yl)-[(2R)-…

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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) 0.56 3.1 -7.96 3 5 0 75 222.292 1 ↓

Analogs

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Popular Name: (5-amino-1H-pyrazol-4-yl)-[(2S)-2-methylazepan-1-yl]methanone (5-amino-1H-pyrazol-4-yl)-[(2S)-…

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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) 0.56 2.97 -7.48 3 5 0 75 222.292 1 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-(1H-pyrazol-4-yl)methanone [(2R)-2-methylazepan-1-yl]-(1H-p…

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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) 0.96 4.11 -8.62 1 4 0 49 207.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylazepan-1-yl]-(1H-pyrazol-4-yl)methanone [(2S)-2-methylazepan-1-yl]-(1H-p…

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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) 0.96 3.92 -8.14 1 4 0 49 207.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: azepan-1-yl-(1,5-dimethylpyrazol-4-yl)methanone azepan-1-yl-(1,5-dimethylpyrazol…

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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) 0.92 5.7 -9.32 0 4 0 38 221.304 1 ↓

Parameters Provided:

ring.id = 74305
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 = 74305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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