UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-isopropyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-isopropyl-N-(2-methoxyethyl)-4…

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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) 2.95 9.2 -10.62 0 6 0 64 385.489 7 ↓

Analogs

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Popular Name: 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-ethyl-N-(2-methoxyethyl)-4-oxo…

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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) 2.58 8.69 -10.71 0 6 0 64 371.462 7 ↓

Analogs

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Popular Name: 3-isobutyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-isobutyl-N-(2-methoxyethyl)-4-…

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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) 3.33 9.64 -11.1 0 6 0 64 399.516 8 ↓

Analogs

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Popular Name: 3-isobutyl-N-methyl-4-oxo-N-[(1S)-1-(2-thienyl)ethyl]phthalazine-1-carboxamide 3-isobutyl-N-methyl-4-oxo-N-[(1S…

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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) 3.90 10.2 -8.86 0 5 0 55 369.49 5 ↓

Analogs

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Popular Name: 3-isobutyl-N-methyl-4-oxo-N-[(1R)-1-(2-thienyl)ethyl]phthalazine-1-carboxamide 3-isobutyl-N-methyl-4-oxo-N-[(1R…

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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) 3.90 10.16 -8.73 0 5 0 55 369.49 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-3-methyl-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide N-(2-methoxyethyl)-3-methyl-4-ox…

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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) 2.21 7.78 -10.86 0 6 0 64 357.435 6 ↓

Analogs

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Popular Name: N-allyl-3-methyl-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide N-allyl-3-methyl-4-oxo-N-(2-thie…

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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) 2.87 9.21 -10.51 0 5 0 55 339.42 5 ↓

Parameters Provided:

ring.id = 27563
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 = 27563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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