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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: (3R)-N,1-dimethyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]piperidin-3-amine (3R)-N,1-dimethyl-N-[[(3S)-3-met…

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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) 1.29 5.16 -79.54 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.29 2.26 -36.1 2 3 1 23 226.388 3 ↓
Lo Low (pH 4.5-6) 1.29 6.76 -177.93 4 3 3 25 228.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,1-dimethyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]piperidin-3-amine (3R)-N,1-dimethyl-N-[[(3R)-3-met…

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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) 1.29 5.03 -81.15 3 3 2 24 227.396 3 ↓
Hi High (pH 8-9.5) 1.29 2.47 -37.78 2 3 1 23 226.388 3 ↓
Lo Low (pH 4.5-6) 1.29 6.75 -184.33 4 3 3 25 228.404 3 ↓

Analogs

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Popular Name: (3R)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N,1-dimethyl-piperidin-3-amine (3R)-N-[[(3S)-3-ethylpyrrolidin-…

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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) 1.63 6.09 -85.29 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.63 3.27 -35.91 2 3 1 23 240.415 4 ↓
Lo Low (pH 4.5-6) 1.63 7.32 -194.39 4 3 3 25 242.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N,1-dimethyl-piperidin-3-amine (3R)-N-[[(3R)-3-ethylpyrrolidin-…

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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) 1.63 5.35 -80.86 3 3 2 24 241.423 4 ↓
Hi High (pH 8-9.5) 1.63 3.13 -38.11 2 3 1 23 240.415 4 ↓
Lo Low (pH 4.5-6) 1.63 7.18 -186.96 4 3 3 25 242.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,1-dimethyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]piperidin-3-amine (3R)-N,1-dimethyl-N-[[(3S)-3-pro…

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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) 2.19 6.22 -82.23 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.19 3.91 -38.14 2 3 1 23 254.442 5 ↓
Lo Low (pH 4.5-6) 2.19 8.07 -190.06 4 3 3 25 256.458 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,1-dimethyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]piperidin-3-amine (3R)-N,1-dimethyl-N-[[(3R)-3-pro…

Find On: PubMed — Wikipedia — Google

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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) 2.19 6.17 -82.67 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.19 3.6 -39 2 3 1 23 254.442 5 ↓
Lo Low (pH 4.5-6) 2.19 7.84 -189.55 4 3 3 25 256.458 5 ↓

Parameters Provided:

ring.id = 306912
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 = 306912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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