UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-cyanophenyl)methyl (2-cyanophenyl)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) 1.86 0.85 -18.98 1 7 0 104 335.319 5 ↓

Analogs

9032765
9032765

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Popular Name: [ethyl-[(3-fluorophenyl)methyl]carbamoyl]methyl [ethyl-[(3-fluorophenyl)methyl]c…

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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) 1.82 0.78 -17.48 1 8 0 101 413.405 8 ↓

Analogs

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Popular Name: (methyl-(3-thienylmethyl)carbamoyl)methyl (methyl-(3-thienylmethyl)carbamo…

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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) 0.90 -0.83 -19.09 1 8 0 101 387.417 7 ↓

Analogs

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Popular Name: [(4-ethylphenyl)methyl-methyl-carbamoyl]methyl [(4-ethylphenyl)methyl-methyl-ca…

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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) 2.22 0.21 -18.72 1 8 0 101 409.442 8 ↓

Analogs

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Popular Name: (5-phenylisoxazol-3-yl)methyl (5-phenylisoxazol-3-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) 2.80 0.44 -17.13 1 8 0 107 377.356 6 ↓

Analogs

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Popular Name: [2-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-oxo-ethyl] [2-(2,6-dioxabicyclo[5.4.0]undec…

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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) 1.49 -0.86 -19.42 1 9 0 116 410.382 6 ↓

Analogs

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Popular Name: azocan-1-ylcarbonylmethyl azocan-1-ylcarbonylmethyl

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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) 1.83 -0.35 -17.39 1 8 0 101 373.409 5 ↓

Analogs

7153086
7153086

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Popular Name: methyl 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) 1.17 -0.07 -20.4 2 10 0 136 405.407 10 ↓

Analogs

7153085
7153085

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Popular Name: methyl 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) 1.17 -0.3 -17.3 2 10 0 136 405.407 10 ↓

Analogs

7153088
7153088
7153090
7153090

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Popular Name: methyl 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) 1.14 0.05 -19.55 2 10 0 136 405.407 10 ↓

Analogs

7153090
7153090
7153087
7153087

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Popular Name: methyl 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) 1.14 -0.13 -20.41 2 10 0 136 405.407 10 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 0.97 -2.24 -19.65 1 9 0 104 388.424 4 ↓

Analogs

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Popular Name: N-[2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-aceta N-[2-(1,7-diazabicyclo[4.3.0]non…

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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) 1.21 -3.58 -26.29 2 8 0 101 363.377 5 ↓
Mid Mid (pH 6-8) 1.21 6.38 -43.35 3 8 1 103 364.385 5 ↓

Analogs

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]propanamide 3-(1,4-dioxo-3H-phthalazin-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) 1.55 5.48 -15.65 2 10 0 127 462.462 5 ↓

Analogs

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Popular Name: 2-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-ylcarbonylmethyl)-3H-phthalazine-1,4-dione 2-(9-thia-4-azabicyclo[4.3.0]non…

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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) 1.31 -3.04 -16.24 1 6 0 75 341.392 2 ↓

Analogs

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Popular Name: N-[(4-tert-butylphenyl)methyl]-2,3-dimethyl-1,4-dioxo-phthalazine-6-carboxamide N-[(4-tert-butylphenyl)methyl]-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) 3.04 -0.07 -13.86 1 6 0 73 379.46 4 ↓

Analogs

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide 3-(1,4-dioxo-3H-phthalazin-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) 2.23 6.11 -12.36 2 7 0 87 378.432 5 ↓

Analogs

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Popular Name: [2-oxo-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] [2-oxo-2-[(4-pyrrolidin-1-ylsulf…

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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) 1.08 5.36 -24.9 2 11 0 148 486.506 8 ↓

Analogs

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-propanamide 3-(1,4-dioxo-3H-phthalazin-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) 1.87 6.69 -18.34 1 7 0 84 385.395 6 ↓

Analogs

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Popular Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide N-[3,5-dimethyl-1-(p-tolyl)pyraz…

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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) 2.04 7.42 -21.88 2 8 0 102 403.442 4 ↓

Analogs

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Popular Name: 3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]-2H-phthalazine-1,4-dione 3-[3-[4-(4-fluorophenyl)sulfonyl…

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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) 1.55 6.17 -20.76 1 9 0 113 474.514 5 ↓

Analogs

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Popular Name: 2-(4-bromobutyl)-3-phenyl-2,3-dihydro-1,4-phthalazinedione 2-(4-bromobutyl)-3-phenyl-2,3-di…

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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) 3.32 0.51 -10.1 0 4 0 44 373.25 5 ↓

Analogs

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Popular Name: 2-[4-(1,4-dioxo-3-phenyl-3,4-dihydro-2(1H)-phthalazinyl)butyl]-3-phenyl-2,3-dihydro-1,4-phthalazinedione 2-[4-(1,4-dioxo-3-phenyl-3,4-dih…

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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) 4.30 1.3 -19.39 0 8 0 88 530.584 7 ↓

Analogs

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(methyl-phenyl-sulfamoyl)phenyl]propanamide 3-(1,4-dioxo-3H-phthalazin-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) 2.76 6.37 -23.27 2 9 0 121 478.53 7 ↓

Analogs

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Popular Name: 3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-2H-phthalazine-1,4 3-[2-oxo-2-[(2R)-2-(piperidine-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) 1.86 8.45 -23.03 1 9 0 105 448.479 3 ↓

Analogs

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Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4R)-8-fluorothiochroman-4-yl]acetamide 2-(1,4-dioxo-3H-phthalazin-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) 1.12 6.17 -18.25 2 6 0 84 385.42 3 ↓

Analogs

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Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide 2-(1,4-dioxo-3H-phthalazin-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) 0.61 1.38 -24.12 4 9 0 133 351.322 3 ↓

Analogs

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Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-acetamide 2-(1,4-dioxo-3H-phthalazin-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) 1.85 6.45 -16.72 1 7 0 84 371.368 6 ↓

Analogs

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Popular Name: 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide 4-[3-(1,4-dioxo-3H-phthalazin-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) 2.67 6.53 -18.98 3 9 0 122 458.474 7 ↓

Analogs

7127610
7127610

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]propanamide 3-(1,4-dioxo-3H-phthalazin-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) 3.34 7.87 -17.85 2 8 0 102 431.448 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiazol-2-ylphenyl)propanamide 3-(1,4-dioxo-3H-phthalazin-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) 2.62 6.01 -16.72 2 7 0 97 392.44 5 ↓

Analogs

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Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide N-(4,6-difluoro-1,3-benzothiazol…

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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 6.34 -19.22 2 7 0 97 402.382 4 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenoxy)ethyl]-1,4-dioxo-2,3-dihydrophthalazine-6-carboxamide N-[2-(4-methoxyphenoxy)ethyl]-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) 1.54 1.61 -16.65 3 8 0 113 355.35 6 ↓

Analogs

16517412
16517412

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide N-[2-(4-chlorophenoxy)ethyl]-3-(…

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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) 2.43 5.35 -13.73 2 7 0 93 387.823 7 ↓

Analogs

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Popular Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic-acid-(4-tert-butyl-2-methyl-phenyl)-ester 2-(1,4-diketo-3H-phthalazin-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) 3.75 9.87 -14.29 1 6 0 81 366.417 5 ↓

Analogs

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Popular Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-p-phenetyl-acetamide 2-(1,4-diketo-3H-phthalazin-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) 1.93 4.8 -18.67 2 7 0 93 339.351 5 ↓

Analogs

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Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide 2-(1,4-dioxo-3H-phthalazin-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) 2.56 5.67 -15.77 2 6 0 84 421.194 3 ↓

Analogs

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Popular Name: N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-3-ethyl-4-oxo-phthalazine-1-carbohydrazide N'-[2-(1,4-dioxo-3H-phthalazin-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) 0.52 3.79 -20.14 3 11 0 148 434.412 5 ↓

Parameters Provided:

ring.id = 5333
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 5333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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