UCSF
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Analogs

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Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide N-methyl-N-[(2-methyl-3-furyl)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) 0.38 1.42 -41.85 0 6 -1 82 246.246 3 ↓
Lo Low (pH 4.5-6) -0.07 3.27 -9.34 1 6 0 79 247.254 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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 0.65 -41.98 1 6 -1 91 260.273 3 ↓
Lo Low (pH 4.5-6) 0.46 2.49 -9.53 2 6 0 88 261.281 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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 0.66 -42.14 1 6 -1 91 260.273 3 ↓
Lo Low (pH 4.5-6) 0.46 2.5 -9.56 2 6 0 88 261.281 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-furylmethyl)-N-methyl-pyridazine-3-carboxamide 6-chloro-N-(3-furylmethyl)-N-met…

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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 4.53 -7.61 0 5 0 59 251.673 3 ↓

Analogs

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Popular Name: 6-chloro-N-methyl-N-[(2-methyl-3-furyl)methyl]pyridazine-3-carboxamide 6-chloro-N-methyl-N-[(2-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) 1.28 5.31 -7.26 0 5 0 59 265.7 3 ↓

Parameters Provided:

ring.id = 546333
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 = 546333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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