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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: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.63 8.57 -36.71 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.64 -37.92 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.46 -14.74 1 5 0 58 340.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.63 8.65 -41.39 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.54 -18.01 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.63 8.71 -42.92 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.63 8.64 -40.82 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.71 -42.49 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.53 -18.92 1 5 0 58 340.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.63 8.56 -37.57 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.63 8.45 -13.78 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.63 8.63 -38.22 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.66 8.61 -38.22 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.66 8.5 -15.57 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.66 8.67 -39.5 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.66 8.69 -40.76 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.66 8.58 -16.51 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.66 8.75 -42.03 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.66 8.68 -40.08 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.66 8.57 -17.35 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.66 8.75 -41.47 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.66 8.6 -38.85 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.66 8.67 -39.74 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.66 8.49 -14.81 1 5 0 58 340.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.68 8.61 -38.68 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.68 8.5 -15.88 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.68 8.67 -40.11 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.68 8.69 -39.12 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.68 8.58 -14.91 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.68 8.75 -40.16 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.68 8.68 -38.6 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.68 8.57 -15.51 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.68 8.75 -39.57 2 5 1 59 341.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.68 8.6 -38.91 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.68 8.49 -15.8 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.68 8.67 -40.12 2 5 1 59 341.41 4 ↓

Parameters Provided:

ring.id = 507946
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 = 507946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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