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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: ethyl ethyl

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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) 1.76 7.48 -44.51 2 5 1 56 276.36 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.76 7.47 -44.53 2 5 1 56 276.36 5 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-tert-butoxy-N2-[(3S)-quinuclid…

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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) 2.57 5.95 -38.39 4 5 1 65 291.419 4 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-tert-butoxy-N2-[(3R)-quinuclid…

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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) 2.57 5.95 -38.38 4 5 1 65 291.419 4 ↓

Analogs

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Popular Name: 6-isobutoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-isobutoxy-N2-[(3S)-quinuclidin…

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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) 2.50 4.83 -38.63 4 5 1 65 291.419 5 ↓

Analogs

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Popular Name: 6-isobutoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-isobutoxy-N2-[(3R)-quinuclidin…

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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) 2.50 4.83 -38.63 4 5 1 65 291.419 5 ↓

Analogs

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Popular Name: 6-propoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-propoxy-N2-[(3S)-quinuclidin-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) 2.26 4.14 -38.95 4 5 1 65 277.392 5 ↓

Analogs

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Popular Name: 6-propoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-propoxy-N2-[(3R)-quinuclidin-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) 2.26 4.14 -38.97 4 5 1 65 277.392 5 ↓

Analogs

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Popular Name: 6-isopropoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-isopropoxy-N2-[(3S)-quinuclidi…

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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) 2.12 4.26 -38.81 4 5 1 65 277.392 4 ↓

Analogs

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Popular Name: 6-isopropoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-isopropoxy-N2-[(3R)-quinuclidi…

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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) 2.12 4.26 -38.7 4 5 1 65 277.392 4 ↓

Analogs

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Popular Name: 6-ethoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-ethoxy-N2-[(3S)-quinuclidin-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) 1.76 3.33 -39.01 4 5 1 65 263.365 4 ↓

Analogs

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Popular Name: 6-ethoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-ethoxy-N2-[(3R)-quinuclidin-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) 1.76 3.33 -39.05 4 5 1 65 263.365 4 ↓

Analogs

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Popular Name: 6-methoxy-N2-[(3S)-quinuclidin-3-yl]pyridine-2,5-diamine 6-methoxy-N2-[(3S)-quinuclidin-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) 1.38 2.39 -39.29 4 5 1 65 249.338 3 ↓

Analogs

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Popular Name: 6-methoxy-N2-[(3R)-quinuclidin-3-yl]pyridine-2,5-diamine 6-methoxy-N2-[(3R)-quinuclidin-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) 1.38 2.39 -39.29 4 5 1 65 249.338 3 ↓

Analogs

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Popular Name: (3S)-N-(3-fluoro-2-pyridyl)quinuclidin-3-amine (3S)-N-(3-fluoro-2-pyridyl)quinu…

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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) 1.66 6.42 -34.2 2 3 1 29 222.287 2 ↓
Hi High (pH 8-9.5) 1.66 3.99 -3.98 1 3 0 28 221.279 2 ↓

Analogs

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Popular Name: (3R)-N-(3-fluoro-2-pyridyl)quinuclidin-3-amine (3R)-N-(3-fluoro-2-pyridyl)quinu…

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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) 1.66 6.42 -34.2 2 3 1 29 222.287 2 ↓
Hi High (pH 8-9.5) 1.66 3.99 -3.99 1 3 0 28 221.279 2 ↓

Analogs

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Popular Name: 5-nitro-2-[[(3S)-quinuclidin-3-yl]amino]pyridine-3-carbonitrile 5-nitro-2-[[(3S)-quinuclidin-3-y…

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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) 1.36 7.43 -43.7 2 7 1 99 274.304 3 ↓

Analogs

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Popular Name: 5-nitro-2-[[(3R)-quinuclidin-3-yl]amino]pyridine-3-carbonitrile 5-nitro-2-[[(3R)-quinuclidin-3-y…

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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) 1.36 7.43 -43.7 2 7 1 99 274.304 3 ↓

Analogs

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Popular Name: (3S)-N-(6-chloro-3-nitro-2-pyridyl)quinuclidin-3-amine (3S)-N-(6-chloro-3-nitro-2-pyrid…

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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) 2.48 7.66 -36.4 2 6 1 75 283.739 3 ↓

Analogs

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Popular Name: (3R)-N-(6-chloro-3-nitro-2-pyridyl)quinuclidin-3-amine (3R)-N-(6-chloro-3-nitro-2-pyrid…

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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) 2.48 7.66 -36.42 2 6 1 75 283.739 3 ↓

Analogs

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Popular Name: 5-amino-2-[[(3S)-quinuclidin-3-yl]amino]pyridine-3-carboxamide 5-amino-2-[[(3S)-quinuclidin-3-y…

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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) -0.05 1.37 -35.04 6 6 1 98 262.337 3 ↓

Analogs

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Popular Name: 5-amino-2-[[(3R)-quinuclidin-3-yl]amino]pyridine-3-carboxamide 5-amino-2-[[(3R)-quinuclidin-3-y…

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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) -0.05 1.35 -34.9 6 6 1 98 262.337 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 59410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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