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

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(3-phenylpropyl)-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) 1.58 5.78 -50.15 3 4 1 60 260.361 6 ↓
Hi High (pH 8-9.5) 1.58 5.39 -9.05 2 4 0 59 259.353 6 ↓
Hi High (pH 8-9.5) 1.58 5.34 -10.51 2 4 0 59 259.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-(3-phenylpropyl)-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) 1.85 6.56 -48.48 3 4 1 60 274.388 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-(3-phenylpropyl)-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) 2.33 7.2 -50.24 3 4 1 60 288.415 7 ↓
Hi High (pH 8-9.5) 2.33 6.8 -8.01 2 4 0 59 287.407 7 ↓
Hi High (pH 8-9.5) 2.33 6.8 -9.44 2 4 0 59 287.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-(3-phenylpropyl)-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) 2.08 6.62 -50.51 3 4 1 60 274.388 7 ↓
Hi High (pH 8-9.5) 2.08 6.22 -8.68 2 4 0 59 273.38 7 ↓
Hi High (pH 8-9.5) 2.08 6.23 -10.17 2 4 0 59 273.38 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-(3-phenylpropyl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(3-pheny…

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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 7.38 -50.5 3 4 1 60 288.415 8 ↓
Hi High (pH 8-9.5) 2.64 6.99 -8.39 2 4 0 59 287.407 8 ↓
Hi High (pH 8-9.5) 2.64 6.99 -9.87 2 4 0 59 287.407 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.35 7.39 -48.67 3 4 1 60 288.415 8 ↓

Parameters Provided:

ring.id = 362317
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 = 362317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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