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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-2…

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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) -0.40 2.73 -57.42 3 6 1 86 234.283 3 ↓
Hi High (pH 8-9.5) -0.40 2.33 -17.88 2 6 0 84 233.275 3 ↓
Hi High (pH 8-9.5) -0.40 2.29 -19.58 2 6 0 84 233.275 3 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-methyl-…

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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) -0.13 3.51 -55.16 3 6 1 86 248.31 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…

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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 4.42 -56.2 3 6 1 86 276.364 4 ↓
Hi High (pH 8-9.5) 0.92 4.02 -17.34 2 6 0 84 275.356 4 ↓
Hi High (pH 8-9.5) 0.92 4.03 -15.63 2 6 0 84 275.356 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-isopropy…

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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) 0.34 4.15 -56.99 3 6 1 86 262.337 4 ↓
Hi High (pH 8-9.5) 0.34 3.76 -16.28 2 6 0 84 261.329 4 ↓
Hi High (pH 8-9.5) 0.34 3.76 -17.98 2 6 0 84 261.329 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-2-…

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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) 0.10 3.54 -58.19 3 6 1 86 248.31 4 ↓
Hi High (pH 8-9.5) 0.10 3.15 -19.18 2 6 0 84 247.302 4 ↓
Hi High (pH 8-9.5) 0.10 3.15 -17.34 2 6 0 84 247.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(6-methy…

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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) 0.66 4.31 -58.12 3 6 1 86 262.337 5 ↓
Hi High (pH 8-9.5) 0.66 3.91 -18.76 2 6 0 84 261.329 5 ↓
Hi High (pH 8-9.5) 0.66 3.92 -16.92 2 6 0 84 261.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-ethyl-2…

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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) 0.37 4.32 -55.79 3 6 1 86 262.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-tert-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) 1.20 5.21 -53.88 3 6 1 86 290.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-isopropyl-2-(6-methylpyridazin-3-yl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-isoprop…

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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) 0.62 4.93 -54.47 3 6 1 86 276.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-(6-methylpyridazin-3-yl)-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(6-meth…

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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) 0.93 5.08 -55.59 3 6 1 86 276.364 6 ↓

Parameters Provided:

ring.id = 362332
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 = 362332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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