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

42445901
42445901

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2-furylmethyl)-N-methyl-ethane-1,2-diamine N,N'-bis(2-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) 1.44 4.11 -42.97 2 4 1 46 235.307 7 ↓
Hi High (pH 8-9.5) 1.44 5.08 -38.31 2 4 1 43 235.307 7 ↓
Mid Mid (pH 6-8) 1.44 6.45 -119.68 3 4 2 47 236.315 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-N'-(2-furylmethyl)-N'-methyl-ethane-1,2-diamine N-[(1S)-1-(2-furyl)ethyl]-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) 2.00 4.59 -40.21 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 2.00 5.72 -38.26 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 2.00 6.93 -117.69 3 4 2 47 250.342 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-N'-(2-furylmethyl)-N'-methyl-ethane-1,2-diamine N-[(1R)-1-(2-furyl)ethyl]-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) 2.00 4.69 -40.67 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 2.00 5.83 -39.18 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 2.00 7.02 -118.22 3 4 2 47 250.342 7 ↓

Analogs

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Popular Name: N'-(2-furylmethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]ethane-1,2-diamine N'-(2-furylmethyl)-N-methyl-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) 1.66 4.92 -43.17 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 1.66 5.88 -38.27 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 1.66 7.25 -120 3 4 2 47 250.342 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1S)-1-(2-furyl)ethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]ethane-1,2-diamine N'-[(1S)-1-(2-furyl)ethyl]-N-met…

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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) 2.22 5.41 -40.43 2 4 1 46 263.361 7 ↓
Hi High (pH 8-9.5) 2.22 6.54 -38.86 2 4 1 43 263.361 7 ↓
Mid Mid (pH 6-8) 2.22 7.74 -118.03 3 4 2 47 264.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(1R)-1-(2-furyl)ethyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]ethane-1,2-diamine N'-[(1R)-1-(2-furyl)ethyl]-N-met…

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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) 2.22 5.5 -40.91 2 4 1 46 263.361 7 ↓
Hi High (pH 8-9.5) 2.22 6.63 -38.29 2 4 1 43 263.361 7 ↓
Mid Mid (pH 6-8) 2.22 7.83 -118.58 3 4 2 47 264.369 7 ↓

Analogs

42445901
42445901

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N,N'-bis(2-furylmethyl)ethane-1,2-diamine N-ethyl-N,N'-bis(2-furylmethyl)e…

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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) 1.82 5.06 -40.62 2 4 1 46 249.334 8 ↓
Mid Mid (pH 6-8) 1.82 7.23 -114.53 3 4 2 47 250.342 8 ↓
Mid Mid (pH 6-8) 1.82 5.86 -36.69 2 4 1 43 249.334 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N'-[(1S)-1-(2-furyl)ethyl]-N-(2-furylmethyl)ethane-1,2-diamine N-ethyl-N'-[(1S)-1-(2-furyl)ethy…

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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) 2.38 5.26 -41.32 2 4 1 46 263.361 8 ↓
Hi High (pH 8-9.5) 2.38 6.53 -37.6 2 4 1 43 263.361 8 ↓
Mid Mid (pH 6-8) 2.38 7.73 -119.42 3 4 2 47 264.369 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N'-[(1R)-1-(2-furyl)ethyl]-N-(2-furylmethyl)ethane-1,2-diamine N-ethyl-N'-[(1R)-1-(2-furyl)ethy…

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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) 2.38 5.26 -41.33 2 4 1 46 263.361 8 ↓
Hi High (pH 8-9.5) 2.38 6.53 -36.78 2 4 1 43 263.361 8 ↓
Mid Mid (pH 6-8) 2.38 7.73 -119.3 3 4 2 47 264.369 8 ↓

Analogs

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Popular Name: (2S)-N1,N2-bis(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2S)-N1,N2-bis(2-furylmethyl)-N2…

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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) 1.77 5.24 -42.49 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 1.77 5.73 -34.32 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 1.77 7.1 -119.86 3 4 2 47 250.342 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N2-bis(2-furylmethyl)-N2-methyl-propane-1,2-diamine (2R)-N1,N2-bis(2-furylmethyl)-N2…

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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) 1.77 5.04 -39.86 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 1.77 5.82 -34.2 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 1.77 7.06 -117.51 3 4 2 47 250.342 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-(2-furylmethyl)-N2-methyl-N2-[(5-methyl-2-furyl)methyl]propane-1,2-diamine (2S)-N1-(2-furylmethyl)-N2-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) 1.99 5.99 -39.99 2 4 1 46 263.361 7 ↓
Hi High (pH 8-9.5) 1.99 6.53 -34.99 2 4 1 43 263.361 7 ↓
Mid Mid (pH 6-8) 1.99 7.89 -117.57 3 4 2 47 264.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-(2-furylmethyl)-N2-methyl-N2-[(5-methyl-2-furyl)methyl]propane-1,2-diamine (2R)-N1-(2-furylmethyl)-N2-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) 1.99 6.03 -40.76 2 4 1 46 263.361 7 ↓
Hi High (pH 8-9.5) 1.99 6.72 -34.14 2 4 1 43 263.361 7 ↓
Mid Mid (pH 6-8) 1.99 7.95 -119.21 3 4 2 47 264.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N2-ethyl-N1,N2-bis(2-furylmethyl)propane-1,2-diamine (2S)-N2-ethyl-N1,N2-bis(2-furylm…

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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) 2.15 6.07 -42.56 2 4 1 46 263.361 8 ↓
Mid Mid (pH 6-8) 2.15 6.38 -33.07 2 4 1 43 263.361 8 ↓
Mid Mid (pH 6-8) 2.15 7.77 -118.62 3 4 2 47 264.369 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-ethyl-N1,N2-bis(2-furylmethyl)propane-1,2-diamine (2R)-N2-ethyl-N1,N2-bis(2-furylm…

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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) 2.15 5.84 -39.87 2 4 1 46 263.361 8 ↓
Mid Mid (pH 6-8) 2.15 7.7 -116.17 3 4 2 47 264.369 8 ↓
Mid Mid (pH 6-8) 2.15 7.57 -32.48 2 4 1 43 263.361 8 ↓

Parameters Provided:

ring.id = 54368
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 = 54368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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