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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [(2R)-1-(4-methylphthalazin-1-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(4-methylphthalazin-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) 1.38 5.88 -88.8 4 4 2 58 244.342 2 ↓
Hi High (pH 8-9.5) 1.38 5.75 -33.7 3 4 1 57 243.334 2 ↓
Mid Mid (pH 6-8) 1.38 5.86 -86.38 4 4 2 58 244.342 2 ↓

Analogs

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Popular Name: [(2S)-1-(4-methylphthalazin-1-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(4-methylphthalazin-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) 1.38 5.83 -88.75 4 4 2 58 244.342 2 ↓
Hi High (pH 8-9.5) 1.38 5.71 -34.05 3 4 1 57 243.334 2 ↓
Mid Mid (pH 6-8) 1.38 5.83 -86.36 4 4 2 58 244.342 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-phthalazin-1-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-phthalazin-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) 1.54 8.23 -40.22 1 5 0 70 257.293 2 ↓
Mid Mid (pH 6-8) 1.54 7.39 -48.58 0 5 -1 69 256.285 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-phthalazin-1-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-phthalazin-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) 1.54 8.21 -40.11 1 5 0 70 257.293 2 ↓
Mid Mid (pH 6-8) 1.54 7.4 -54.37 0 5 -1 69 256.285 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-methylphthala…

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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) 2.17 8.7 -40.14 1 5 0 70 271.32 2 ↓
Hi High (pH 8-9.5) 2.17 8.69 -46.8 1 5 0 70 271.32 2 ↓
Hi High (pH 8-9.5) 2.17 7.98 -50.84 1 5 0 70 271.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-methylphthala…

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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) 2.17 8.7 -39.8 1 5 0 70 271.32 2 ↓
Hi High (pH 8-9.5) 2.17 8.71 -46.27 1 5 0 70 271.32 2 ↓
Hi High (pH 8-9.5) 2.17 8.02 -54.02 1 5 0 70 271.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-phthalazin-1-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-phthalazin-1-yl-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) 1.87 8.75 -34.42 1 5 0 70 271.32 3 ↓
Mid Mid (pH 6-8) 1.87 7.87 -47.74 0 5 -1 69 270.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-phthalazin-1-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-phthalazin-1-yl-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) 1.87 8.71 -51.09 1 5 0 70 271.32 3 ↓
Mid Mid (pH 6-8) 1.87 7.96 -51.2 0 5 -1 69 270.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-methylphthalaz…

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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) 2.51 9.24 -34.11 1 5 0 70 285.347 3 ↓
Hi High (pH 8-9.5) 2.51 8.47 -49.87 1 5 0 70 285.347 3 ↓
Hi High (pH 8-9.5) 2.51 9.15 -44.84 1 5 0 70 285.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-methylphthalaz…

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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) 2.51 9.2 -51.4 1 5 0 70 285.347 3 ↓
Hi High (pH 8-9.5) 2.51 8.57 -49.66 1 5 0 70 285.347 3 ↓
Hi High (pH 8-9.5) 2.51 9.25 -43.78 1 5 0 70 285.347 3 ↓

Analogs

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Popular Name: (3S)-1-phthalazin-1-yl-3-propyl-pyrrolidine-3-carboxylic (3S)-1-phthalazin-1-yl-3-propyl-…

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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 9.56 -54.11 1 5 0 70 285.347 4 ↓
Mid Mid (pH 6-8) 2.43 8.64 -47.99 0 5 -1 69 284.339 4 ↓

Analogs

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Popular Name: (3R)-1-phthalazin-1-yl-3-propyl-pyrrolidine-3-carboxylic (3R)-1-phthalazin-1-yl-3-propyl-…

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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 9.47 -51.23 1 5 0 70 285.347 4 ↓
Mid Mid (pH 6-8) 2.43 8.73 -51.5 0 5 -1 69 284.339 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chlorophthalazin-1-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(4-chlorophthalazin-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) 2.91 7.87 -47.33 1 4 1 33 277.779 2 ↓
Mid Mid (pH 6-8) 2.91 5.46 -11.12 0 4 0 32 276.771 2 ↓
Lo Low (pH 4.5-6) 2.91 8.67 -84.78 2 4 2 35 278.787 2 ↓

Analogs

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Popular Name: (3S)-1-(4-chlorophthalazin-1-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(4-chlorophthalazin-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) 2.91 7.87 -53.96 1 4 1 33 277.779 2 ↓
Mid Mid (pH 6-8) 2.91 5.49 -10.1 0 4 0 32 276.771 2 ↓
Lo Low (pH 4.5-6) 2.91 8.68 -84.56 2 4 2 35 278.787 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-chlorophthalazin-1-yl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(4-chlorophthalazin-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) 3.66 8.93 -45.22 1 4 1 33 305.833 4 ↓
Mid Mid (pH 6-8) 3.66 6.76 -10.92 0 4 0 32 304.825 4 ↓
Lo Low (pH 4.5-6) 3.66 9.7 -84.31 2 4 2 35 306.841 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-chlorophthalazin-1-yl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(4-chlorophthalazin-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) 3.66 8.91 -51.23 1 4 1 33 305.833 4 ↓
Mid Mid (pH 6-8) 3.66 6.83 -9.06 0 4 0 32 304.825 4 ↓
Lo Low (pH 4.5-6) 3.66 9.69 -76.17 2 4 2 35 306.841 4 ↓

Analogs

42434626
42434626

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(4-methylphthalazin-1-yl)pyrrolidin-2-yl]methanol [(2R)-1-(4-methylphthalazin-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) 1.94 5.1 -22.19 2 4 1 50 244.318 2 ↓
Mid Mid (pH 6-8) 1.94 4.95 -12.8 1 4 0 49 243.31 2 ↓

Analogs

42434625
42434625

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Popular Name: [(2S)-1-(4-methylphthalazin-1-yl)pyrrolidin-2-yl]methanol [(2S)-1-(4-methylphthalazin-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) 1.94 5.09 -22.21 2 4 1 50 244.318 2 ↓
Mid Mid (pH 6-8) 1.94 4.95 -12.79 1 4 0 49 243.31 2 ↓

Analogs

42434638
42434638

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Popular Name: [(2R)-1-phthalazin-1-ylpyrrolidin-2-yl]methanol [(2R)-1-phthalazin-1-ylpyrrolidi…

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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 4.61 -23.33 2 4 1 50 230.291 2 ↓
Mid Mid (pH 6-8) 1.31 4.46 -11.94 1 4 0 49 229.283 2 ↓

Analogs

42434637
42434637

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Popular Name: [(2S)-1-phthalazin-1-ylpyrrolidin-2-yl]methanol [(2S)-1-phthalazin-1-ylpyrrolidi…

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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 4.61 -23.34 2 4 1 50 230.291 2 ↓
Mid Mid (pH 6-8) 1.31 4.47 -11.89 1 4 0 49 229.283 2 ↓

Parameters Provided:

ring.id = 109092
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 = 109092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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