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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: (1R)-1-(2,5-dimethyl-3-furyl)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.62 5.48 -40.11 2 5 1 57 278.376 5 ↓
Hi High (pH 8-9.5) 1.62 4.34 -7.96 1 5 0 52 277.368 5 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-[(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.62 5.51 -40.31 2 5 1 57 278.376 5 ↓
Hi High (pH 8-9.5) 1.62 4.29 -7.45 1 5 0 52 277.368 5 ↓

Analogs

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Popular Name: N-methyl-1-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methanamine N-methyl-1-[3-[[methyl-[(1-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) 0.26 6.03 -114.45 3 5 2 52 250.346 6 ↓
Hi High (pH 8-9.5) 0.26 4.07 -44.07 2 5 1 51 249.338 6 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[3-[[methyl-[(1-methylpyrazol…

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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) 0.64 6.88 -114.28 3 5 2 52 264.373 7 ↓
Hi High (pH 8-9.5) 0.64 4.4 -42.87 2 5 1 51 263.365 7 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[3-[[methyl-[(1-methylpyrazol…

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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) 1.14 7.64 -116.12 3 5 2 52 278.4 8 ↓
Hi High (pH 8-9.5) 1.14 5.15 -43.24 2 5 1 51 277.392 8 ↓

Analogs

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Popular Name: N-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[3-[[methyl-[(1-methylpyrazol…

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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) 0.93 7.4 -111.49 3 5 2 52 278.4 7 ↓
Hi High (pH 8-9.5) 0.93 5.27 -39.68 2 5 1 51 277.392 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)-3-furyl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine 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) -0.11 4.14 -120.5 4 5 2 63 236.319 5 ↓
Hi High (pH 8-9.5) -0.11 1.78 -48.76 3 5 1 62 235.311 5 ↓

Analogs

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Popular Name: [5-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methanamine [5-methyl-4-[[methyl-[(1-methylp…

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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) 0.11 4.85 -99.98 4 5 2 63 250.346 5 ↓
Hi High (pH 8-9.5) 0.11 2.57 -48.02 3 5 1 62 249.338 5 ↓

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methanamine N-methyl-1-[5-methyl-4-[[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) 0.48 6.73 -95.33 3 5 2 52 264.373 6 ↓
Hi High (pH 8-9.5) 0.48 4.45 -42.55 2 5 1 51 263.365 6 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]ethanamine N-[[5-methyl-4-[[methyl-[(1-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) 0.86 7.5 -95.2 3 5 2 52 278.4 7 ↓
Hi High (pH 8-9.5) 0.86 5.25 -41.67 2 5 1 51 277.392 7 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-[[methyl-[(1-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) 1.36 8.25 -96.66 3 5 2 52 292.427 8 ↓
Hi High (pH 8-9.5) 1.36 6 -42.48 2 5 1 51 291.419 8 ↓

Analogs

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Popular Name: N-[[5-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-[[methyl-[(1-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) 1.16 8.1 -94.5 3 5 2 52 292.427 7 ↓
Hi High (pH 8-9.5) 1.16 5.82 -39.86 2 5 1 51 291.419 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-[[methyl-[(1-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) 1.38 8.34 -115.49 3 5 2 52 292.427 8 ↓
Hi High (pH 8-9.5) 1.38 5.59 -41.38 2 5 1 51 291.419 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-[[methyl-[(1-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) 1.45 7.83 -110.97 3 5 2 52 292.427 7 ↓
Hi High (pH 8-9.5) 1.45 5.62 -38.44 2 5 1 51 291.419 7 ↓

Analogs

42448039
42448039

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Popular Name: (1S)-N-(3-furylmethyl)-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1S)-N-(3-furylmethyl)-N-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) -0.55 2.16 -44.86 3 5 1 62 235.311 5 ↓
Mid Mid (pH 6-8) -0.55 3.31 -38.75 3 5 1 61 235.311 5 ↓
Mid Mid (pH 6-8) -0.55 3.65 -123.19 4 5 2 63 236.319 5 ↓

Analogs

42448037
42448037

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Popular Name: (1R)-N-(3-furylmethyl)-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1R)-N-(3-furylmethyl)-N-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) -0.55 1.59 -53.93 3 5 1 62 235.311 5 ↓
Mid Mid (pH 6-8) -0.55 3.96 -34.59 3 5 1 61 235.311 5 ↓
Mid Mid (pH 6-8) -0.55 3.64 -121 4 5 2 63 236.319 5 ↓

Analogs

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Popular Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-N-(3-furylmethyl)-N-methyl-methanamine 1-(5-chloro-1,3-dimethyl-pyrazol…

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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) 1.49 6.44 -38.17 1 4 1 35 254.741 4 ↓
Hi High (pH 8-9.5) 1.49 4.13 -6.47 0 4 0 34 253.733 4 ↓

Analogs

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Popular Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-N-methyl-N-[(2-methyl-3-furyl)methyl]methanamine 1-(5-chloro-1,3-dimethyl-pyrazol…

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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) 1.71 7.28 -38.2 1 4 1 35 268.768 4 ↓
Hi High (pH 8-9.5) 1.71 4.94 -6.57 0 4 0 34 267.76 4 ↓

Parameters Provided:

ring.id = 180672
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 180672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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