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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: N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3R)-1-ethylpyrrolidin-3-yl]…

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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) 1.10 5.26 -42.88 2 4 1 42 207.301 4 ↓
Mid Mid (pH 6-8) 1.10 5.43 -84.56 3 4 2 43 208.309 4 ↓
Mid Mid (pH 6-8) 1.10 5.43 -82.45 3 4 2 43 208.309 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3S)-1-ethylpyrrolidin-3-yl]…

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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) 1.10 5.28 -42.63 2 4 1 42 207.301 4 ↓
Mid Mid (pH 6-8) 1.10 5.44 -83.81 3 4 2 43 208.309 4 ↓
Mid Mid (pH 6-8) 1.10 5.46 -81.69 3 4 2 43 208.309 4 ↓

Analogs

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Popular Name: N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3S)-1-(2,2,2-trifluoroethyl…

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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) 1.65 3.37 -34.77 2 4 1 42 261.271 5 ↓
Mid Mid (pH 6-8) 1.65 3.38 -36.78 2 4 1 42 261.271 5 ↓
Mid Mid (pH 6-8) 1.65 3.2 -10.38 1 4 0 41 260.263 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3R)-1-(2,2,2-trifluoroethyl…

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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) 1.65 3.34 -34.28 2 4 1 42 261.271 5 ↓
Mid Mid (pH 6-8) 1.65 3.33 -36.02 2 4 1 42 261.271 5 ↓
Mid Mid (pH 6-8) 1.65 3.16 -10.16 1 4 0 41 260.263 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3R)-1-methylpyrrolidin-3-yl…

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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) 0.72 4.55 -43.3 2 4 1 42 193.274 3 ↓
Mid Mid (pH 6-8) 0.72 4.72 -81.88 3 4 2 43 194.282 3 ↓
Mid Mid (pH 6-8) 0.72 4.73 -83.71 3 4 2 43 194.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3S)-1-methylpyrrolidin-3-yl…

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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) 0.72 4.56 -43.35 2 4 1 42 193.274 3 ↓
Mid Mid (pH 6-8) 0.72 4.73 -81.6 3 4 2 43 194.282 3 ↓
Mid Mid (pH 6-8) 0.72 4.72 -83.56 3 4 2 43 194.282 3 ↓

Analogs

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Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3R)-1-isopropylpyrrolidin-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) 1.40 5.75 -41.58 2 4 1 42 221.328 4 ↓
Mid Mid (pH 6-8) 1.40 5.93 -83.92 3 4 2 43 222.336 4 ↓
Mid Mid (pH 6-8) 1.40 5.92 -81.66 3 4 2 43 222.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]pyridazin-3-amine N-[[(3S)-1-isopropylpyrrolidin-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) 1.40 5.77 -41.37 2 4 1 42 221.328 4 ↓
Mid Mid (pH 6-8) 1.40 5.94 -83.22 3 4 2 43 222.336 4 ↓
Mid Mid (pH 6-8) 1.40 5.96 -80.92 3 4 2 43 222.336 4 ↓

Parameters Provided:

ring.id = 23793
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 = 23793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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