UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-(isoindolin-2-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[3-(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) 1.47 7.99 -111.42 3 3 2 34 244.338 4 ↓

Analogs

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Popular Name: N-[[3-(isoindolin-2-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(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) 1.85 8.84 -111.36 3 3 2 34 258.365 5 ↓

Analogs

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Popular Name: N-[[3-(isoindolin-2-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(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) 2.35 9.6 -113.39 3 3 2 34 272.392 6 ↓

Analogs

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Popular Name: N-[[3-(isoindolin-2-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(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) 2.14 9.37 -110.87 3 3 2 34 272.392 5 ↓

Analogs

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Popular Name: [3-(isoindolin-2-ylmethyl)-2-furyl]methanamine [3-(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) 1.10 6.11 -117.75 4 3 2 45 230.311 3 ↓

Analogs

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Popular Name: [4-(isoindolin-2-ylmethyl)-5-methyl-2-furyl]methanamine [4-(isoindolin-2-ylmethyl)-5-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 6.81 -98.27 4 3 2 45 244.338 3 ↓

Analogs

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Popular Name: 1-[4-(isoindolin-2-ylmethyl)-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-(isoindolin-2-ylmethyl)-5-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 8.68 -93.6 3 3 2 34 258.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(isoindolin-2-ylmethyl)-5-methyl-2-furyl]methyl]ethanamine N-[[4-(isoindolin-2-ylmethyl)-5-…

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Activity (Go SEA)

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 9.46 -93.62 3 3 2 34 272.392 5 ↓

Analogs

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Popular Name: N-[[4-(isoindolin-2-ylmethyl)-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-(isoindolin-2-ylmethyl)-5-…

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Activity (Go SEA)

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 10.21 -95.03 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(isoindolin-2-ylmethyl)-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-(isoindolin-2-ylmethyl)-5-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.05 -92.91 3 3 2 34 286.419 5 ↓

Analogs

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Popular Name: N-[[3-(isoindolin-2-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-(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) 2.59 10.3 -114.7 3 3 2 34 286.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(isoindolin-2-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-(isoindolin-2-ylmethyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.8 -108.27 3 3 2 34 286.419 5 ↓

Parameters Provided:

ring.id = 224588
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 = 224588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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