UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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25470495
25470495
26853982
26853982
27313713
27313713
30646840
30646840
40108996
40108996

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Popular Name: N-allyl-6-oxo-N-(2-thienylmethyl)-1H-pyridazine-3-carboxamide N-allyl-6-oxo-N-(2-thienylmethyl…

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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) 1.76 4.48 -39.89 0 5 -1 69 274.325 5 ↓
Lo Low (pH 4.5-6) 1.30 5.31 -10.99 1 5 0 66 275.333 5 ↓

Analogs

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Popular Name: N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-methyl-N-[(1R)-1-(5-methyl-2-t…

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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) 1.90 2.94 -41.29 0 5 -1 69 276.341 3 ↓
Lo Low (pH 4.5-6) 1.44 4.79 -8.58 1 5 0 66 277.349 3 ↓

Analogs

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Popular Name: N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-methyl-N-[(1S)-1-(5-methyl-2-t…

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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) 1.90 2.96 -40.92 0 5 -1 69 276.341 3 ↓
Lo Low (pH 4.5-6) 1.44 4.82 -8.69 1 5 0 66 277.349 3 ↓

Analogs

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Popular Name: N-[(1S)-3-methyl-1-(2-thienyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1S)-3-methyl-1-(2-thienyl)bu…

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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) 2.71 2.12 -41.01 1 5 -1 78 290.368 5 ↓
Lo Low (pH 4.5-6) 2.25 3.94 -6.98 2 5 0 75 291.376 5 ↓

Analogs

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Popular Name: N-[(1R)-3-methyl-1-(2-thienyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1R)-3-methyl-1-(2-thienyl)bu…

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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) 2.71 2.1 -41 1 5 -1 78 290.368 5 ↓
Lo Low (pH 4.5-6) 2.25 3.98 -7.32 2 5 0 75 291.376 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(2-thienyl)propyl]pyridazine-3-carboxamide 6-chloro-N-[(1S)-1-(2-thienyl)pr…

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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) 2.83 4.72 -6.13 1 4 0 55 281.768 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(2-thienyl)propyl]pyridazine-3-carboxamide 6-chloro-N-[(1R)-1-(2-thienyl)pr…

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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) 2.83 4.72 -6.1 1 4 0 55 281.768 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-(2-thienyl)butyl]pyridazine-3-carboxamide 6-chloro-N-[(1S)-1-(2-thienyl)bu…

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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) 3.39 5.47 -5.97 1 4 0 55 295.795 5 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-(2-thienyl)butyl]pyridazine-3-carboxamide 6-chloro-N-[(1R)-1-(2-thienyl)bu…

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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) 3.39 5.47 -5.96 1 4 0 55 295.795 5 ↓

Parameters Provided:

ring.id = 147808
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 = 147808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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