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

Analogs

37787611
37787611

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-1,…

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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) 2.54 5.4 -6.73 1 3 0 30 300.225 3 ↓
Mid Mid (pH 6-8) 2.54 5.52 -28.58 2 3 1 31 301.233 3 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1-methyl-pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-1-…

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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) 2.09 4.58 -5.92 1 3 0 30 272.171 3 ↓
Lo Low (pH 4.5-6) 2.09 4.73 -32.24 2 3 1 31 273.179 3 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1H-pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-1H…

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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) 2.02 3.26 -5.18 2 3 0 41 258.144 3 ↓

Analogs

37785025
37785025
37786711
37786711
37787611
37787611

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1-ethyl-pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-1-…

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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) 2.47 5.44 -5.7 1 3 0 30 286.198 4 ↓
Lo Low (pH 4.5-6) 2.47 5.61 -31.73 2 3 1 31 287.206 4 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-3,…

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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) 2.47 4.19 -5.77 2 3 0 41 286.198 3 ↓
Lo Low (pH 4.5-6) 2.47 4.34 -30.31 3 3 1 42 287.206 3 ↓

Analogs

37787682
37787682
37787683
37787683

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.15 6.09 -6.29 1 4 0 39 279.409 6 ↓

Analogs

37787682
37787682
37787683
37787683

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.15 6.11 -6.34 1 4 0 39 279.409 6 ↓

Analogs

20351726
20351726

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-(3-thienylmethyl)pyrazol-4-amine 1-(2-methoxyethyl)-N-(3-thienylm…

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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 3.75 -5.56 1 4 0 39 237.328 6 ↓

Analogs

38030230
38030230

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(5-bromo-3-thienyl)methyl]-1-…

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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) 2.08 4.48 -5.67 1 4 0 39 316.224 6 ↓

Parameters Provided:

ring.id = 116509
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 = 116509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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