UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-(isoindolin-2-ylmethyl)-3-furyl]methyl]ethanamine N-[[2-(isoindolin-2-ylmethyl)-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) 1.85 8.86 -112.17 3 3 2 34 258.365 5 ↓
Hi High (pH 8-9.5) 1.85 6.4 -37.64 2 3 1 33 257.357 5 ↓

Analogs

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Popular Name: N-[[2-(isoindolin-2-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[2-(isoindolin-2-ylmethyl)-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) 2.14 9.38 -110.21 3 3 2 34 272.392 5 ↓
Hi High (pH 8-9.5) 2.14 6.92 -35.95 2 3 1 33 271.384 5 ↓

Analogs

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Popular Name: 1-[5-(isoindolin-2-ylmethyl)-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-(isoindolin-2-ylmethyl)-2-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) 1.69 8.64 -95.84 3 3 2 34 258.365 4 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-methyl-3-furyl]methyl]ethanamine N-[[5-(isoindolin-2-ylmethyl)-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) 2.07 9.49 -95.71 3 3 2 34 272.392 5 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.57 10.24 -97.24 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.37 10.02 -94.97 3 3 2 34 286.419 5 ↓

Analogs

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Popular Name: 1-[5-(isoindolin-2-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[5-(isoindolin-2-ylmethyl)-2-f…

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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 7.98 -93.78 3 3 2 34 244.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-(isoindolin-2-ylmethyl)-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) 2.16 8.84 -93.69 3 3 2 34 258.365 5 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.66 9.59 -95.15 3 3 2 34 272.392 6 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.46 9.36 -92.76 3 3 2 34 272.392 5 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.97 9.79 -91.54 3 3 2 34 286.419 5 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.90 10.28 -95.64 3 3 2 34 286.419 6 ↓

Analogs

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Popular Name: [5-(isoindolin-2-ylmethyl)-2-furyl]methanamine [5-(isoindolin-2-ylmethyl)-2-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) 1.41 6.09 -96.82 4 3 2 45 230.311 3 ↓

Analogs

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Popular Name: [5-(isoindolin-2-ylmethyl)-2-methyl-3-furyl]methanamine [5-(isoindolin-2-ylmethyl)-2-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) 1.32 6.76 -100.64 4 3 2 45 244.338 3 ↓
Hi High (pH 8-9.5) 1.32 6.34 -37.36 3 3 1 44 243.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(isoindolin-2-ylmethyl)-3-furyl]methanamine [2-(isoindolin-2-ylmethyl)-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) 1.10 6.11 -119.09 4 3 2 45 230.311 3 ↓
Hi High (pH 8-9.5) 1.10 4.12 -42.42 3 3 1 44 229.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(isoindolin-2-ylmethyl)-3-methyl-2-furyl]methanamine [5-(isoindolin-2-ylmethyl)-3-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) 1.78 6.72 -98.8 4 3 2 45 244.338 3 ↓

Analogs

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Popular Name: [5-(isoindolin-2-ylmethyl)-3-furyl]methanamine [5-(isoindolin-2-ylmethyl)-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) 1.10 5.94 -98.84 4 3 2 45 230.311 3 ↓
Hi High (pH 8-9.5) 1.10 5.54 -37.1 3 3 1 44 229.303 3 ↓

Analogs

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Popular Name: 1-[5-(isoindolin-2-ylmethyl)-3-furyl]-N-methyl-methanamine 1-[5-(isoindolin-2-ylmethyl)-3-f…

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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) 1.47 7.81 -96.48 3 3 2 34 244.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-furyl]methyl]ethanamine N-[[5-(isoindolin-2-ylmethyl)-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) 1.85 8.67 -96.28 3 3 2 34 258.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-furyl]methyl]propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.35 9.42 -97.97 3 3 2 34 272.392 6 ↓

Analogs

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Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-furyl]methyl]propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.14 9.2 -95.55 3 3 2 34 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.66 9.63 -94.92 3 3 2 34 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.59 10.12 -98.6 3 3 2 34 286.419 6 ↓

Analogs

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Popular Name: 1-[5-(isoindolin-2-ylmethyl)-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-(isoindolin-2-ylmethyl)-3-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) 2.16 8.59 -91.8 3 3 2 34 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-methyl-2-furyl]methyl]ethanamine N-[[5-(isoindolin-2-ylmethyl)-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) 2.54 9.45 -91.55 3 3 2 34 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-(isoindolin-2-ylmethyl)-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) 3.04 10.2 -92.99 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(isoindolin-2-ylmethyl)-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-(isoindolin-2-ylmethyl)-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) 2.83 9.98 -90.41 3 3 2 34 286.419 5 ↓

Parameters Provided:

ring.id = 224570
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 = 224570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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