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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-(5-methyl-2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-(5-methyl-2-furyl)-N-(4H-…

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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) 0.49 4.8 -37.14 3 5 1 71 207.257 4 ↓
Mid Mid (pH 6-8) 0.49 3.6 -10.26 2 5 0 67 206.249 4 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(5-methyl-2-furyl)-N-(4H-…

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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) 0.49 4.8 -37.14 3 5 1 71 207.257 4 ↓
Mid Mid (pH 6-8) 0.49 3.58 -9.99 2 5 0 67 206.249 4 ↓

Analogs

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Popular Name: 1-(2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(2-furyl)-N-(4H-1,2,4-triazol-…

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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) -0.29 3.47 -40.21 3 5 1 71 179.203 4 ↓
Mid Mid (pH 6-8) -0.29 2.11 -10.01 2 5 0 67 178.195 4 ↓

Analogs

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Popular Name: 1-(5-methyl-2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-(5-methyl-2-furyl)-N-(4H-1,2,4…

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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) -0.07 4.3 -40.27 3 5 1 71 193.23 4 ↓
Mid Mid (pH 6-8) -0.07 2.93 -10.38 2 5 0 67 192.222 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1S)-1-(2-furyl)-N-(4H-1,2,4-tri…

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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) 0.27 3.98 -37.27 3 5 1 71 193.23 4 ↓
Mid Mid (pH 6-8) 0.27 2.75 -9.62 2 5 0 67 192.222 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N-(4H-1,2,4-triazol-3-ylmethyl)ethanamine (1R)-1-(2-furyl)-N-(4H-1,2,4-tri…

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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) 0.27 3.98 -37.22 3 5 1 71 193.23 4 ↓
Mid Mid (pH 6-8) 0.27 2.78 -9.93 2 5 0 67 192.222 4 ↓

Analogs

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Popular Name: 1-[5-(difluoromethylsulfanylmethyl)-2-furyl]-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-[5-(difluoromethylsulfanylmeth…

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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) 1.00 5.91 -43.82 3 5 1 71 275.304 7 ↓
Mid Mid (pH 6-8) 1.00 4.54 -11.51 2 5 0 67 274.296 7 ↓

Analogs

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Popular Name: methyl 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) -0.31 4.99 -47.83 3 7 1 98 251.266 6 ↓
Mid Mid (pH 6-8) -0.31 3.63 -12.18 2 7 0 93 250.258 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(methylsulfanylmethyl)-2-furyl]-N-(4H-1,2,4-triazol-3-ylmethyl)methanamine 1-[5-(methylsulfanylmethyl)-2-fu…

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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) 0.45 5.53 -42.64 3 5 1 71 239.324 6 ↓
Mid Mid (pH 6-8) 0.45 4.16 -11.33 2 5 0 67 238.316 6 ↓

Parameters Provided:

ring.id = 583972
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 = 583972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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