UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-fluoro-3-[(1-oxophthalazin-2-yl)methyl]benzonitrile 4-fluoro-3-[(1-oxophthalazin-2-y…

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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) 2.69 8.16 -14.27 0 4 0 59 279.274 2 ↓

Analogs

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Popular Name: 4-[(1-oxophthalazin-2-yl)methyl]benzenecarbothioamide 4-[(1-oxophthalazin-2-yl)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) 2.64 6.97 -20.5 2 4 0 61 295.367 3 ↓

Analogs

37011521
37011521

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Popular Name: 2-[(3-amino-4-methoxy-phenyl)methyl]phthalazin-1-one 2-[(3-amino-4-methoxy-phenyl)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) 2.31 5.05 -14.55 2 5 0 70 281.315 3 ↓

Analogs

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Popular Name: 3-[(4-methoxyphenyl)methyl]-4-oxo-phthalazine-1-carboxylic 3-[(4-methoxyphenyl)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) 2.71 6.59 -49.27 0 6 -1 84 309.301 4 ↓

Analogs

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Popular Name: 2-[(2-amino-6-bromo-phenyl)methyl]phthalazin-1-one 2-[(2-amino-6-bromo-phenyl)methy…

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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 6.66 -9.36 2 4 0 61 330.185 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1-oxophthalazin-2-yl)methyl]benzonitrile 3-[(1-oxophthalazin-2-yl)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) 2.58 8.14 -15.58 0 4 0 59 261.284 2 ↓

Analogs

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Popular Name: 2-[(5-chloro-2-methoxy-phenyl)methyl]phthalazin-1-one 2-[(5-chloro-2-methoxy-phenyl)me…

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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) 3.51 7.69 -13.07 0 4 0 44 300.745 3 ↓

Analogs

22222816
22222816
22314666
22314666

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Popular Name: 2-(m-tolylmethyl)phthalazin-1-one 2-(m-tolylmethyl)phthalazin-1-one

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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) 3.27 8.42 -12.4 0 3 0 35 250.301 2 ↓

Parameters Provided:

ring.id = 46757
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 = 46757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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