UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(7-chloro-1,3-benzodioxol-5-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) 2.05 4.02 -8.62 1 6 0 58 309.753 6 ↓

Analogs

35781012
35781012

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Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(7-bromo-1,3-benzodioxol-5-yl…

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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) 2.18 4.12 -8.48 1 6 0 58 354.204 6 ↓

Analogs

42879996
42879996

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyethyl)pyrazol-4-amine N-(1,3-benzodioxol-5-ylmethyl)-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) 1.45 3.51 -8.64 1 6 0 58 275.308 6 ↓

Analogs

44967558
44967558
44967560
44967560
20350417
20350417
20352810
20352810

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

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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) 2.01 4.24 -8.95 1 6 0 58 289.335 6 ↓

Analogs

44967558
44967558
44967560
44967560
20350417
20350417
20352810
20352810

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

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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) 2.01 4.26 -8.86 1 6 0 58 289.335 6 ↓

Analogs

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Popular Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(6-bromo-1,3-benzodioxol-5-yl…

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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) 2.18 4.08 -7.39 1 6 0 58 354.204 6 ↓

Analogs

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Popular Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(7-chloro-1,3-benzodioxol-5-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) 2.51 4.94 -9.55 1 5 0 48 293.754 3 ↓
Mid Mid (pH 6-8) 2.51 5.06 -32.95 2 5 1 50 294.762 3 ↓

Analogs

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Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(7-bromo-1,3-benzodioxol-5-yl…

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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 5.04 -9.43 1 5 0 48 338.205 3 ↓
Mid Mid (pH 6-8) 2.64 5.16 -32.79 2 5 1 50 339.213 3 ↓

Parameters Provided:

ring.id = 143599
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 = 143599 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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