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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-(3-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1R)-1-(3-furyl)-N-methyl-1-(1-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) 0.60 3.74 -42.32 2 4 1 48 192.242 3 ↓
Hi High (pH 8-9.5) 0.60 2.5 -7.1 1 4 0 43 191.234 3 ↓

Analogs

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Popular Name: (1S)-1-(3-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1S)-1-(3-furyl)-N-methyl-1-(1-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) 0.60 3.71 -42.35 2 4 1 48 192.242 3 ↓
Hi High (pH 8-9.5) 0.60 2.51 -6.97 1 4 0 43 191.234 3 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (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) 1.04 5.15 -42.57 2 4 1 48 220.296 3 ↓
Hi High (pH 8-9.5) 1.04 4.08 -8.46 1 4 0 43 219.288 3 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (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) 1.04 5.32 -42.95 2 4 1 48 220.296 3 ↓
Hi High (pH 8-9.5) 1.04 4.07 -8.58 1 4 0 43 219.288 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-methyl-3-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1R)-N-methyl-1-(2-methyl-3-fury…

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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) 0.82 4.47 -42.38 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 0.82 3.37 -8.14 1 4 0 43 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-methyl-3-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1S)-N-methyl-1-(2-methyl-3-fury…

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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) 0.82 4.47 -42.47 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 0.82 3.29 -8.29 1 4 0 43 205.261 3 ↓

Analogs

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Popular Name: (S)-3-furyl-(1-propylpyrazol-4-yl)methanamine (S)-3-furyl-(1-propylpyrazol-4-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) 1.10 3.61 -47.64 3 4 1 59 206.269 4 ↓
Hi High (pH 8-9.5) 1.10 3.28 -7.39 2 4 0 57 205.261 4 ↓

Analogs

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Popular Name: (R)-3-furyl-(1-propylpyrazol-4-yl)methanamine (R)-3-furyl-(1-propylpyrazol-4-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) 1.10 3.61 -47.66 3 4 1 59 206.269 4 ↓
Hi High (pH 8-9.5) 1.10 3.28 -7.5 2 4 0 57 205.261 4 ↓

Analogs

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Popular Name: (S)-(1-ethylpyrazol-4-yl)-(3-furyl)methanamine (S)-(1-ethylpyrazol-4-yl)-(3-fur…

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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) 0.60 2.85 -47.67 3 4 1 59 192.242 3 ↓
Hi High (pH 8-9.5) 0.60 2.52 -7.78 2 4 0 57 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylpyrazol-4-yl)-(3-furyl)methanamine (R)-(1-ethylpyrazol-4-yl)-(3-fur…

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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) 0.60 2.85 -47.72 3 4 1 59 192.242 3 ↓
Hi High (pH 8-9.5) 0.60 2.52 -7.68 2 4 0 57 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-furyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (1S)-1-(3-furyl)-N-methyl-1-(1-p…

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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) 1.48 5.33 -41.98 2 4 1 48 220.296 5 ↓
Hi High (pH 8-9.5) 1.48 4.15 -6.6 1 4 0 43 219.288 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-furyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (1R)-1-(3-furyl)-N-methyl-1-(1-p…

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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) 1.48 5.36 -42.02 2 4 1 48 220.296 5 ↓
Hi High (pH 8-9.5) 1.48 4.14 -6.55 1 4 0 43 219.288 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-ethylpyrazol-4-yl)-1-(3-furyl)-N-methyl-methanamine (1S)-1-(1-ethylpyrazol-4-yl)-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) 0.97 4.57 -42.05 2 4 1 48 206.269 4 ↓
Hi High (pH 8-9.5) 0.97 3.39 -6.89 1 4 0 43 205.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-ethylpyrazol-4-yl)-1-(3-furyl)-N-methyl-methanamine (1R)-1-(1-ethylpyrazol-4-yl)-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) 0.97 4.6 -42.14 2 4 1 48 206.269 4 ↓
Hi High (pH 8-9.5) 0.97 3.37 -6.8 1 4 0 43 205.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylpyrazol-4-yl)-(3-furyl)methyl]ethanamine N-[(R)-(1-ethylpyrazol-4-yl)-(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) 1.35 5.45 -40.42 2 4 1 48 220.296 5 ↓
Hi High (pH 8-9.5) 1.35 4.32 -7.27 1 4 0 43 219.288 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylpyrazol-4-yl)-(3-furyl)methyl]ethanamine N-[(S)-(1-ethylpyrazol-4-yl)-(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) 1.35 5.46 -40.29 2 4 1 48 220.296 5 ↓
Hi High (pH 8-9.5) 1.35 4.31 -6.49 1 4 0 43 219.288 5 ↓

Parameters Provided:

ring.id = 18014
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 = 18014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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