UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]pyridazin-3-one 2-[(5-chloro-1,3-dimethyl-pyrazo…

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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) 1.13 4.19 -11.12 0 5 0 53 238.678 2 ↓

Analogs

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Popular Name: 2-[(5-amino-1,3-dimethyl-pyrazol-4-yl)methyl]pyridazin-3-one 2-[(5-amino-1,3-dimethyl-pyrazol…

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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) -0.06 3.08 -29.03 3 6 1 80 220.256 2 ↓
Hi High (pH 8-9.5) -0.06 2.95 -11.17 2 6 0 79 219.248 2 ↓

Analogs

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Popular Name: 2-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]pyridazin-3-one 2-[[1,3-dimethyl-5-(methylamino)…

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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) 0.31 3.74 -28.81 2 6 1 66 234.283 3 ↓
Hi High (pH 8-9.5) 0.31 3.61 -11.57 1 6 0 65 233.275 3 ↓

Analogs

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Popular Name: 2-[[5-(ethylamino)-1,3-dimethyl-pyrazol-4-yl]methyl]pyridazin-3-one 2-[[5-(ethylamino)-1,3-dimethyl-…

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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) 0.69 4.22 -27.83 2 6 1 66 248.31 4 ↓
Mid Mid (pH 6-8) 0.69 4.1 -12.81 1 6 0 65 247.302 4 ↓

Analogs

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Popular Name: 2-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]pyridazin-3-one 2-[[1,3-dimethyl-5-(propylamino)…

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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) 1.19 5 -27.88 2 6 1 66 262.337 5 ↓
Mid Mid (pH 6-8) 1.19 4.87 -12.47 1 6 0 65 261.329 5 ↓

Analogs

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Popular Name: 2-[(5-hydrazino-1,3-dimethyl-pyrazol-4-yl)methyl]pyridazin-3-one 2-[(5-hydrazino-1,3-dimethyl-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) -0.30 2.71 -27.8 4 7 1 92 235.271 3 ↓
Mid Mid (pH 6-8) -0.12 3.03 -12.33 3 7 0 94 234.263 2 ↓

Parameters Provided:

ring.id = 213928
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 = 213928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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