UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11979576
11979576

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Popular Name: 3-ethyl-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaze 3-ethyl-N-[(1S)-1-(2-furyl)ethyl…

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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) 1.45 2.6 -58.79 1 7 1 69 374.461 5 ↓

Analogs

11979565
11979565

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Popular Name: 3-ethyl-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaze 3-ethyl-N-[(1R)-1-(2-furyl)ethyl…

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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) 1.45 2.64 -53.36 1 7 1 69 374.461 5 ↓

Analogs

11980204
11980204

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-[(E)-2-methylbut-2-enyl]-7-oxo-1,2,4,5-tetrahydropyri N-[(1S)-1-(2-furyl)ethyl]-9-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) 2.52 3.15 -58.07 1 7 1 69 414.526 6 ↓

Analogs

11980199
11980199

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-[(E)-2-methylbut-2-enyl]-7-oxo-1,2,4,5-tetrahydropyri N-[(1R)-1-(2-furyl)ethyl]-9-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) 2.52 2.76 -52.85 1 7 1 69 414.526 6 ↓

Analogs

11782387
11782387
11782388
11782388

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Popular Name: N-(2-furylmethyl)-3-isobutyl-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carbox N-(2-furylmethyl)-3-isobutyl-9-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) 1.87 0.27 -56.62 2 7 1 78 374.461 6 ↓

Analogs

11995973
11995973

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-3-(3-methylbut-2-enyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4 N-[(1S)-1-(2-furyl)ethyl]-9-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) 2.98 0.93 -54.09 2 7 1 78 400.499 6 ↓

Analogs

11995972
11995972

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-3-(3-methylbut-2-enyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4 N-[(1R)-1-(2-furyl)ethyl]-9-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) 2.98 0.88 -55.83 2 7 1 78 400.499 6 ↓

Parameters Provided:

ring.id = 63892
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 = 63892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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