UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7150837
7150837

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Popular Name: N,N-dimethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide N,N-dimethyl-2-(4-phenylphthalaz…

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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) 3.40 9.39 -13.39 0 4 0 46 337.448 4 ↓

Analogs

7150848
7150848

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Popular Name: N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide N-ethyl-2-(4-phenylphthalazin-1-…

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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) 3.97 -0.76 -12.62 1 4 0 54 337.448 5 ↓

Analogs

7150847
7150847

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Popular Name: N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide N-ethyl-2-(4-phenylphthalazin-1-…

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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) 3.97 -0.75 -12.59 1 4 0 54 337.448 5 ↓

Analogs

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Popular Name: N-methyl-2-(4-phenylphthalazin-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide N-methyl-2-(4-phenylphthalazin-1…

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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) 4.41 10.13 -14.75 0 4 0 46 391.418 6 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide N-[(2R)-2-cyanopropyl]-N-ethyl-2…

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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) 4.39 11.66 -15.82 0 5 0 70 390.512 7 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide N-[(2S)-2-cyanopropyl]-N-ethyl-2…

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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) 4.39 11.63 -16.45 0 5 0 70 390.512 7 ↓

Analogs

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Popular Name: N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methylprop-2-enyl)acetamide N-ethyl-2-[4-(4-fluorophenyl)pht…

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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) 5.21 12.07 -11.72 0 4 0 46 395.503 7 ↓

Analogs

4588424
4588424
1553773
1553773

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Popular Name: 2-[(4-phenylphthalazin-1-yl)thio]acetonitrile 2-[(4-phenylphthalazin-1-yl)thio…

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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) 3.91 2.13 -10.65 0 3 0 49 277.352 3 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide N,N-bis(2-cyanoethyl)-2-[4-(4-fl…

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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) 2.56 11.66 -22.92 0 6 0 94 419.485 8 ↓

Analogs

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Popular Name: N-carbamoyl-3-(4-phenylphthalazin-1-yl)sulfanyl-propanamide N-carbamoyl-3-(4-phenylphthalazi…

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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) 2.78 6.38 -30.13 3 6 0 98 352.419 5 ↓

Analogs

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Popular Name: N-(2-butoxyethyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide N-(2-butoxyethyl)-2-(4-phenylpht…

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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) 4.66 9.26 -13.88 1 5 0 64 395.528 10 ↓

Analogs

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Popular Name: (2S)-2-(4-phenylphthalazin-1-yl)sulfanylbutanamide (2S)-2-(4-phenylphthalazin-1-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) 3.73 6.78 -19.34 2 4 0 69 323.421 5 ↓

Analogs

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Popular Name: (2R)-2-(4-phenylphthalazin-1-yl)sulfanylbutanamide (2R)-2-(4-phenylphthalazin-1-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) 3.73 6.78 -19.29 2 4 0 69 323.421 5 ↓

Analogs

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Popular Name: 3-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropan-1-ol 3-[4-(4-fluorophenyl)phthalazin-…

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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) 3.93 6.67 -10.65 1 3 0 46 314.385 5 ↓

Analogs

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Popular Name: 1-(5-bromo-2-ethoxy-phenyl)-4-chloro-phthalazine 1-(5-bromo-2-ethoxy-phenyl)-4-ch…

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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) 5.38 8.64 -10.88 0 3 0 35 363.642 3 ↓

Analogs

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Popular Name: 1-chloro-4-(4-methoxy-3-methyl-phenyl)phthalazine 1-chloro-4-(4-methoxy-3-methyl-p…

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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) 4.64 7.69 -10.1 0 3 0 35 284.746 2 ↓

Parameters Provided:

ring.id = 5098
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 = 5098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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