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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,8aR)-N-[(5-nitro-2-furyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(5-nitro-2-furyl)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) 1.88 6.49 -39.98 2 6 1 75 266.321 4 ↓
Hi High (pH 8-9.5) 1.88 4.24 -9.39 1 6 0 74 265.313 4 ↓
Lo Low (pH 4.5-6) 1.88 7.77 -127.19 3 6 2 80 267.329 4 ↓

Analogs

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Popular Name: (1S,8aR)-N-[(5-nitro-2-furyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(5-nitro-2-furyl)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) 1.88 6.31 -42.67 2 6 1 75 266.321 4 ↓
Hi High (pH 8-9.5) 1.88 4.05 -8.63 1 6 0 74 265.313 4 ↓
Lo Low (pH 4.5-6) 1.88 7.47 -128.42 3 6 2 80 267.329 4 ↓

Analogs

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Popular Name: (1R,8aR)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1- (1R,8aR)-N-[[5-(difluoromethylsu…

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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) 3.09 8.22 -33.68 2 3 1 30 317.425 6 ↓
Hi High (pH 8-9.5) 3.09 5.97 -5.57 1 3 0 28 316.417 6 ↓
Lo Low (pH 4.5-6) 3.09 9.49 -113.18 3 3 2 34 318.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1- (1S,8aR)-N-[[5-(difluoromethylsu…

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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) 3.09 8.04 -35.6 2 3 1 30 317.425 6 ↓
Hi High (pH 8-9.5) 3.09 5.78 -4.99 1 3 0 28 316.417 6 ↓
Lo Low (pH 4.5-6) 3.09 9.2 -113.41 3 3 2 34 318.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(5-iodo-2-furyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(5-iodo-2-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) 3.00 6.99 -32.2 2 3 1 30 347.22 3 ↓
Hi High (pH 8-9.5) 3.00 4.74 -3.61 1 3 0 28 346.212 3 ↓
Lo Low (pH 4.5-6) 3.00 8.26 -112.31 3 3 2 34 348.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(5-iodo-2-furyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(5-iodo-2-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) 3.00 6.81 -34.23 2 3 1 30 347.22 3 ↓
Hi High (pH 8-9.5) 3.00 4.55 -3.07 1 3 0 28 346.212 3 ↓
Lo Low (pH 4.5-6) 3.00 7.96 -112.83 3 3 2 34 348.228 3 ↓

Analogs

44686935
44686935
44686937
44686937

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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) 1.78 7.31 -35.88 2 5 1 56 293.387 5 ↓
Hi High (pH 8-9.5) 1.78 5.06 -6.29 1 5 0 55 292.379 5 ↓
Lo Low (pH 4.5-6) 1.78 8.57 -119.06 3 5 2 60 294.395 5 ↓

Analogs

44686935
44686935
44686937
44686937

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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) 1.78 7.13 -37.65 2 5 1 56 293.387 5 ↓
Hi High (pH 8-9.5) 1.78 4.87 -5.76 1 5 0 55 292.379 5 ↓
Lo Low (pH 4.5-6) 1.78 8.27 -118.93 3 5 2 60 294.395 5 ↓

Analogs

44687315
44687315
44687316
44687316

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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) 1.87 6.59 -37.17 2 5 1 56 279.36 5 ↓
Hi High (pH 8-9.5) 1.87 4.34 -7.32 1 5 0 55 278.352 5 ↓
Lo Low (pH 4.5-6) 1.87 7.86 -120.91 3 5 2 60 280.368 5 ↓

Analogs

44687315
44687315
44687316
44687316

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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) 1.87 6.41 -39.32 2 5 1 56 279.36 5 ↓
Hi High (pH 8-9.5) 1.87 4.15 -6.7 1 5 0 55 278.352 5 ↓
Lo Low (pH 4.5-6) 1.87 7.57 -121.4 3 5 2 60 280.368 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[[5-(methylsulfanylme…

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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) 2.53 7.84 -33.38 2 3 1 30 281.445 5 ↓
Hi High (pH 8-9.5) 2.53 5.58 -5.36 1 3 0 28 280.437 5 ↓
Lo Low (pH 4.5-6) 2.53 9.11 -111.59 3 3 2 34 282.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[[5-(methylsulfanylme…

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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) 2.53 7.66 -35.14 2 3 1 30 281.445 5 ↓
Hi High (pH 8-9.5) 2.53 5.4 -4.85 1 3 0 28 280.437 5 ↓
Lo Low (pH 4.5-6) 2.53 8.81 -111.75 3 3 2 34 282.453 5 ↓

Parameters Provided:

ring.id = 557738
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 = 557738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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