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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

55099655
55099655

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Popular Name: methyl 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) 2.85 0.9 -41.69 2 5 1 60 341.431 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(1-naphthylmethyl)pyr…

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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) 3.10 10.68 -115.26 3 2 2 21 270.42 5 ↓
Mid Mid (pH 6-8) 3.10 9.55 -37.93 2 2 1 20 269.412 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(1-naphthylmethyl)pyr…

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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) 3.10 10.68 -115.68 3 2 2 21 270.42 5 ↓
Mid Mid (pH 6-8) 3.10 8.84 -38.38 2 2 1 20 269.412 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(1-naphthylmethyl)pyr…

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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) 3.60 11.44 -117.67 3 2 2 21 284.447 6 ↓
Mid Mid (pH 6-8) 3.60 10.3 -38.76 2 2 1 20 283.439 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(1-naphthylmethyl)pyr…

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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) 3.60 10.55 -121.96 3 2 2 21 284.447 6 ↓
Mid Mid (pH 6-8) 3.60 8.28 -44.59 2 2 1 20 283.439 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(1-naphthylmethyl)pyr…

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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) 3.75 11.2 -113.97 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.75 10.07 -36.45 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(1-naphthylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(1-naphthylmethyl)pyr…

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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) 3.75 11.21 -114.45 3 2 2 21 284.447 5 ↓
Mid Mid (pH 6-8) 3.75 9.34 -37.22 2 2 1 20 283.439 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(1-naphthyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(1-naphth…

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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) 2.04 6.61 -120.16 4 3 2 35 285.435 4 ↓
Mid Mid (pH 6-8) 2.04 4.17 -43.71 3 3 1 34 284.427 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(1-naphthyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(1-naphth…

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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) 2.04 6.82 -118.43 4 3 2 35 285.435 4 ↓
Mid Mid (pH 6-8) 2.04 4.43 -48.52 3 3 1 34 284.427 4 ↓

Analogs

12037430
12037430

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Popular Name: methyl 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) 2.85 7.48 -11.97 1 5 0 59 340.423 6 ↓

Analogs

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Popular Name: 1-ethyl-3-[[(3S)-1-(1-naphthylmethyl)pyrrolidin-3-yl]methyl]urea 1-ethyl-3-[[(3S)-1-(1-naphthylme…

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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) 3.21 8.12 -46.02 3 4 1 46 312.437 5 ↓

Analogs

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Popular Name: 1-ethyl-3-[[(3R)-1-(1-naphthylmethyl)pyrrolidin-3-yl]methyl]urea 1-ethyl-3-[[(3R)-1-(1-naphthylme…

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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) 3.21 8.23 -46.21 3 4 1 46 312.437 5 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-(1-naphthylmethyl)pyrrolidine-2-carboxamide (2S)-N-methyl-1-(1-naphthylmethy…

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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) 2.40 8.03 -36.44 2 3 1 34 269.368 3 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-(1-naphthylmethyl)pyrrolidine-2-carboxamide (2R)-N-methyl-1-(1-naphthylmethy…

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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) 2.40 8.05 -38.16 2 3 1 34 269.368 3 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-[(5-methyl-1-naphthyl)methyl]pyrrolidine-2-carboxamide (2S,4S)-4-amino-N,N-diethyl-1-[(…

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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) 2.39 6.99 -49.41 3 4 1 51 340.491 5 ↓
Hi High (pH 8-9.5) 2.39 6.7 -8.48 2 4 0 50 339.483 5 ↓

Analogs

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Popular Name: 2-hydroxy-N-[[(3R)-1-[(4-methoxy-1-naphthyl)methyl]pyrrolidin-3-yl]methyl]acetamide 2-hydroxy-N-[[(3R)-1-[(4-methoxy…

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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) 1.89 6.05 -52.76 3 5 1 63 329.42 6 ↓

Analogs

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Popular Name: 2-hydroxy-N-[[(3S)-1-[(4-methoxy-1-naphthyl)methyl]pyrrolidin-3-yl]methyl]acetamide 2-hydroxy-N-[[(3S)-1-[(4-methoxy…

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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) 1.89 5.97 -53.2 3 5 1 63 329.42 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[[(3S)-1-(1-naphthylmethyl)pyrrolidin-3-yl]methyl]propanamide 2,2-dimethyl-N-[[(3S)-1-(1-napht…

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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) 4.54 10.68 -45.49 2 3 1 34 325.476 5 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[[(3R)-1-(1-naphthylmethyl)pyrrolidin-3-yl]methyl]propanamide 2,2-dimethyl-N-[[(3R)-1-(1-napht…

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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) 4.54 10.78 -45.7 2 3 1 34 325.476 5 ↓

Analogs

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Popular Name: 2-hydroxy-N-[[(3R)-1-[(5-methyl-1-naphthyl)methyl]pyrrolidin-3-yl]methyl]acetamide 2-hydroxy-N-[[(3R)-1-[(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) 2.28 7.23 -49.94 3 4 1 54 313.421 5 ↓

Analogs

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Popular Name: 2-hydroxy-N-[[(3S)-1-[(5-methyl-1-naphthyl)methyl]pyrrolidin-3-yl]methyl]acetamide 2-hydroxy-N-[[(3S)-1-[(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) 2.28 7.17 -50.27 3 4 1 54 313.421 5 ↓

Parameters Provided:

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page.format = targets
page.num = 1

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 = 83708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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