UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-nitro-4-(1-oxophthalazin-2-yl)-benzenesulfonamide 3-nitro-4-(1-oxophthalazin-2-yl)…

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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 -3.8 -21.58 2 9 0 140 346.324 3 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-3-methyl-butyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide N-[(2S)-2-dimethylamino-3-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) 3.10 9.68 -47.14 2 6 1 68 379.484 6 ↓
Hi High (pH 8-9.5) 3.10 7.31 -9.69 1 6 0 67 378.476 6 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-3-methyl-butyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide N-[(2R)-2-dimethylamino-3-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) 3.10 9.65 -44.98 2 6 1 68 379.484 6 ↓
Hi High (pH 8-9.5) 3.10 7.1 -10.04 1 6 0 67 378.476 6 ↓

Analogs

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Popular Name: 3-(4-ethylphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid 3-(4-ethylphenyl)-4-oxo-3,4-dihy…

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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) 3.25 9.25 -50.06 0 5 -1 75 293.302 3 ↓

Analogs

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Popular Name: 3-[3-(methylsulfanyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid 3-[3-(methylsulfanyl)phenyl]-4-o…

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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) 2.96 8.83 -51.55 0 5 -1 75 311.342 3 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid 3-(3-bromophenyl)-4-oxo-3,4-dihy…

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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 8.44 -47.6 0 5 -1 75 344.144 2 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid 3-(4-bromophenyl)-4-oxo-3,4-dihy…

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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) 3.14 8.44 -45.9 0 5 -1 75 344.144 2 ↓

Analogs

14246718
14246718
8359012
8359012
8160909
8160909

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Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-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) 1.94 4.99 -14.01 2 7 0 93 350.378 5 ↓

Analogs

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Popular Name: 3-(7,8-dimethoxy-1-oxo-phthalazin-2-yl)benzoic 3-(7,8-dimethoxy-1-oxo-phthalazi…

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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) 2.44 7.16 -76.81 0 7 -1 93 325.3 4 ↓

Analogs

36656253
36656253
60612625
60612625
8359012
8359012
8160909
8160909

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Popular Name: N-(2-methylamino-2-oxo-ethyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide N-(2-methylamino-2-oxo-ethyl)-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) 1.56 4.15 -14.52 2 7 0 93 336.351 4 ↓

Parameters Provided:

ring.id = 3305
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 = 3305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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