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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-(2,5-dimethyl…

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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) 3.51 8.48 -42.34 2 3 1 54 261.389 3 ↓
Hi High (pH 8-9.5) 3.51 7.66 -9.32 1 3 0 49 260.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1S)-1-(2,5-dimethyl…

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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) 3.51 8.4 -42.76 2 3 1 54 261.389 3 ↓
Hi High (pH 8-9.5) 3.51 7.59 -6.97 1 3 0 49 260.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-1-(2,5-dimethyl…

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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) 3.51 8.48 -37.42 2 3 1 54 261.389 3 ↓
Hi High (pH 8-9.5) 3.51 7.96 -8.03 1 3 0 49 260.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1S)-1-(2,5-dimethyl…

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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) 3.51 8.59 -38.91 2 3 1 54 261.389 3 ↓
Hi High (pH 8-9.5) 3.51 7.92 -7.96 1 3 0 49 260.381 3 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)-3-furyl]methyl]cycloheptanamine N-methyl-N-[[2-(methylaminomethy…

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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) 2.90 8.07 -106.92 3 3 2 34 252.402 5 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[2-(ethylaminomethyl)-3-furyl…

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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) 3.27 8.92 -106.72 3 3 2 34 266.429 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)-3-furyl]methyl]cycloheptanamine N-methyl-N-[[2-(propylaminomethy…

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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) 3.77 9.69 -108.76 3 3 2 34 280.456 7 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[2-[(isopropylamino)methyl]-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) 3.57 9.45 -104.25 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[2-(aminomethyl)-3-furyl]meth…

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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) 2.52 6.21 -113.37 4 3 2 45 238.375 4 ↓

Analogs

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Popular Name: N-[[5-(aminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[5-(aminomethyl)-2-methyl-3-f…

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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) 2.74 6.89 -96.95 4 3 2 45 252.402 4 ↓

Analogs

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Popular Name: N-methyl-N-[[2-methyl-5-(methylaminomethyl)-3-furyl]methyl]cycloheptanamine N-methyl-N-[[2-methyl-5-(methyla…

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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) 3.12 8.76 -92.06 3 3 2 34 266.429 5 ↓

Analogs

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Popular Name: N-[[5-(ethylaminomethyl)-2-methyl-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[5-(ethylaminomethyl)-2-methy…

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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) 3.49 9.62 -91.78 3 3 2 34 280.456 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-methyl-5-(propylaminomethyl)-3-furyl]methyl]cycloheptanamine N-methyl-N-[[2-methyl-5-(propyla…

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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) 4.00 10.37 -93.27 3 3 2 34 294.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(isopropylamino)methyl]-2-methyl-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[5-[(isopropylamino)methyl]-2…

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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) 3.79 10.14 -91.26 3 3 2 34 294.483 6 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[2-[(isobutylamino)methyl]-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) 4.02 10.38 -108.92 3 3 2 34 294.483 7 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]-3-furyl]methyl]-N-methyl-cycloheptanamine N-[[2-[(tert-butylamino)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) 4.08 9.83 -103.36 3 3 2 34 294.483 6 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-(3-furylmethyl)-N-methyl-cycloheptanamine 1-(aminomethyl)-N-(3-furylmethyl…

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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) 1.97 3.71 -41.01 3 3 1 44 237.367 4 ↓
Mid Mid (pH 6-8) 1.97 5.5 -119.35 4 3 2 45 238.375 4 ↓

Analogs

42448249
42448249

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Popular Name: (1S,2R)-2-[3-furylmethyl(methyl)amino]cycloheptanecarbonitrile (1S,2R)-2-[3-furylmethyl(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) 2.75 7.75 -45.59 1 3 1 41 233.335 3 ↓
Mid Mid (pH 6-8) 2.75 5.74 -9.63 0 3 0 40 232.327 3 ↓

Analogs

42448247
42448247

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Popular Name: (1S,2S)-2-[3-furylmethyl(methyl)amino]cycloheptanecarbonitrile (1S,2S)-2-[3-furylmethyl(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) 2.75 7.87 -39.69 1 3 1 41 233.335 3 ↓
Mid Mid (pH 6-8) 2.75 6.17 -7.79 0 3 0 40 232.327 3 ↓

Analogs

52346447
52346447
52346448
52346448
52346474
52346474
52346475
52346475

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]cycloheptanamine 1-(aminomethyl)-N-methyl-N-[(2-m…

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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 4.64 -43.46 3 3 1 44 251.394 4 ↓
Mid Mid (pH 6-8) 2.19 6.41 -121.16 4 3 2 45 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[methyl-[(2-methyl-3-furyl)methyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[methyl-[(2-methyl-3-f…

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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) 2.97 8.53 -43.43 1 3 1 41 247.362 3 ↓
Mid Mid (pH 6-8) 2.97 6.48 -8.32 0 3 0 40 246.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[methyl-[(2-methyl-3-furyl)methyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[methyl-[(2-methyl-3-f…

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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) 2.97 8.62 -37.13 1 3 1 41 247.362 3 ↓
Mid Mid (pH 6-8) 2.97 6.98 -6.45 0 3 0 40 246.354 3 ↓

Parameters Provided:

ring.id = 156260
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 = 156260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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