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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: 1-(2-furyl)-N-(1H-imidazol-5-ylmethyl)methanamine 1-(2-furyl)-N-(1H-imidazol-5-ylm…

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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) 0.38 3.96 -38.96 3 4 1 58 178.215 4 ↓
Hi High (pH 8-9.5) 0.38 2.58 -8.42 2 4 0 54 177.207 4 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1S)-1-(2-furyl)-N-(1H-imidazol-…

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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) 0.94 4.46 -36.29 3 4 1 58 192.242 4 ↓
Hi High (pH 8-9.5) 0.94 3.24 -8.46 2 4 0 54 191.234 4 ↓

Analogs

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Popular Name: (1R)-1-(2-furyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1R)-1-(2-furyl)-N-(1H-imidazol-…

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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) 0.94 4.45 -36.86 3 4 1 58 192.242 4 ↓
Hi High (pH 8-9.5) 0.94 3.26 -8.37 2 4 0 54 191.234 4 ↓

Analogs

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Popular Name: (1R)-N-(1H-imidazol-5-ylmethyl)-1-(5-methyl-2-furyl)ethanamine (1R)-N-(1H-imidazol-5-ylmethyl)-…

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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 5.28 -36.85 3 4 1 58 206.269 4 ↓
Hi High (pH 8-9.5) 1.16 4.09 -8.7 2 4 0 54 205.261 4 ↓

Analogs

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Popular Name: (1S)-N-(1H-imidazol-5-ylmethyl)-1-(5-methyl-2-furyl)ethanamine (1S)-N-(1H-imidazol-5-ylmethyl)-…

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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 5.28 -36.19 3 4 1 58 206.269 4 ↓
Hi High (pH 8-9.5) 1.16 4.06 -8.83 2 4 0 54 205.261 4 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-(5-methyl-2-furyl)methanamine N-(1H-imidazol-5-ylmethyl)-1-(5-…

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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 4.78 -38.92 3 4 1 58 192.242 4 ↓
Hi High (pH 8-9.5) 0.60 3.4 -8.73 2 4 0 54 191.234 4 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-furyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1R)-1-(5-methyl-2-furyl)-N-[(4-…

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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 5.78 -35.6 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.38 4.58 -10.18 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 1.38 6.3 -101.82 4 4 2 60 221.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[(4-…

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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 5.78 -36.15 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.38 4.56 -9.4 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 1.38 6.31 -101.82 4 4 2 60 221.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-2-furyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]methanamine 1-(5-methyl-2-furyl)-N-[(4-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) 0.82 5.28 -39.33 3 4 1 58 206.269 4 ↓
Hi High (pH 8-9.5) 0.82 3.9 -10.48 2 4 0 54 205.261 4 ↓
Lo Low (pH 4.5-6) 0.82 5.82 -104.75 4 4 2 60 207.277 4 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-furyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1R)-1-(5-methyl-2-furyl)-N-[(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) 1.25 5.14 -36.82 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.25 3.94 -8.67 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 1.25 5.58 -101.16 4 4 2 60 221.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[(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) 1.25 5.14 -36.16 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.25 3.92 -8.83 2 4 0 54 219.288 4 ↓
Lo Low (pH 4.5-6) 1.25 5.58 -101.06 4 4 2 60 221.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-2-furyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]methanamine 1-(5-methyl-2-furyl)-N-[(2-methy…

Find On: PubMed — Wikipedia — Google

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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) 0.69 4.64 -38.96 3 4 1 58 206.269 4 ↓
Hi High (pH 8-9.5) 0.69 3.26 -8.69 2 4 0 54 205.261 4 ↓
Lo Low (pH 4.5-6) 0.69 5.08 -103.87 4 4 2 60 207.277 4 ↓

Parameters Provided:

ring.id = 152460
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 = 152460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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