UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40731306
40731306
35012796
35012796
19885970
19885970

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Popular Name: N-[(5-methyl-2-furyl)methyl]BLAHamine N-[(5-methyl-2-furyl)methyl]BLAH…

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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) 3.62 9.34 -34.8 2 2 1 30 246.374 3 ↓

Analogs

40731306
40731306
35012796
35012796
19885970
19885970

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Popular Name: N-[(5-methyl-2-furyl)methyl]BLAHamine N-[(5-methyl-2-furyl)methyl]BLAH…

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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) 3.62 8.6 -39.2 2 2 1 30 246.374 3 ↓

Analogs

20018015
20018015

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Popular Name: N-[(5-bromo-2-furyl)methyl]BLAHamine N-[(5-bromo-2-furyl)methyl]BLAHa…

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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) 4.33 9.25 -38.38 2 2 1 30 311.243 3 ↓

Analogs

20018015
20018015

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Popular Name: N-[(5-bromo-2-furyl)methyl]BLAHamine N-[(5-bromo-2-furyl)methyl]BLAHa…

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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) 4.33 8.52 -42.79 2 2 1 30 311.243 3 ↓

Analogs

7519305
7519305
280528
280528

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Popular Name: N-(2-furylmethyl)BLAHamine N-(2-furylmethyl)BLAHamine

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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) 3.39 8.52 -34.94 2 2 1 30 232.347 3 ↓

Analogs

7519305
7519305
280528
280528

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Popular Name: N-(2-furylmethyl)BLAHamine N-(2-furylmethyl)BLAHamine

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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) 3.39 7.78 -39.33 2 2 1 30 232.347 3 ↓

Analogs

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Popular Name: N-[(5-nitro-2-furyl)methyl]BLAHamine N-[(5-nitro-2-furyl)methyl]BLAHa…

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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) 3.48 9.22 -50.48 2 5 1 76 277.344 4 ↓

Analogs

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Popular Name: N-[(5-nitro-2-furyl)methyl]BLAHamine N-[(5-nitro-2-furyl)methyl]BLAHa…

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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) 3.48 8.49 -54.87 2 5 1 76 277.344 4 ↓

Analogs

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Popular Name: N-[(5-iodo-2-furyl)methyl]BLAHamine N-[(5-iodo-2-furyl)methyl]BLAHamine

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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) 4.60 9.72 -37.98 2 2 1 30 358.243 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-iodo-2-furyl)methyl]BLAHamine N-[(5-iodo-2-furyl)methyl]BLAHamine

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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) 4.60 8.99 -42.38 2 2 1 30 358.243 3 ↓

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) 3.47 9.32 -44.63 2 4 1 56 290.383 5 ↓

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) 3.47 8.59 -49.44 2 4 1 56 290.383 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]BLAHamine N-[[5-(methylsulfanylmethyl)-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) 4.13 10.57 -37.37 2 2 1 30 292.468 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]BLAHamine N-[[5-(methylsulfanylmethyl)-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) 4.13 9.83 -41.89 2 2 1 30 292.468 5 ↓

Parameters Provided:

ring.id = 141153
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 = 141153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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