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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: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]phthalazin-1-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 2.77 8 -24.78 2 3 1 39 228.319 4 ↓
Mid Mid (pH 6-8) 2.77 7.92 -9.28 1 3 0 38 227.311 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]phthalazin-1-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 2.77 8.08 -24.92 2 3 1 39 228.319 4 ↓
Mid Mid (pH 6-8) 2.77 7.99 -9.34 1 3 0 38 227.311 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-phthalazin-1-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.41 8.49 -23.91 2 3 1 39 242.346 4 ↓
Mid Mid (pH 6-8) 3.41 8.4 -10.13 1 3 0 38 241.338 4 ↓
Mid Mid (pH 6-8) 3.41 8.52 -25.33 2 3 1 39 242.346 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-phthalazin-1-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.41 8.56 -23.99 2 3 1 39 242.346 4 ↓
Mid Mid (pH 6-8) 3.41 8.48 -10.13 1 3 0 38 241.338 4 ↓
Mid Mid (pH 6-8) 3.41 8.6 -25.44 2 3 1 39 242.346 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]phthalazin-1-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 3.31 8.5 -24.38 2 3 1 39 242.346 5 ↓
Mid Mid (pH 6-8) 3.31 8.45 -8.59 1 3 0 38 241.338 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]phthalazin-1-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 3.31 8.58 -24.47 2 3 1 39 242.346 5 ↓
Mid Mid (pH 6-8) 3.31 8.53 -8.6 1 3 0 38 241.338 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-4-methyl-phthalazin-1-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 3.94 8.99 -23.52 2 3 1 39 256.373 5 ↓
Mid Mid (pH 6-8) 3.94 9.05 -25.28 2 3 1 39 256.373 5 ↓
Mid Mid (pH 6-8) 3.94 8.94 -9.32 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-4-methyl-phthalazin-1-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 3.94 9.06 -23.67 2 3 1 39 256.373 5 ↓
Mid Mid (pH 6-8) 3.94 9.13 -25.35 2 3 1 39 256.373 5 ↓
Mid Mid (pH 6-8) 3.94 9.01 -9.34 1 3 0 38 255.365 5 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]phthalazin-1-amine 4-chloro-N-[(1S)-2-cyclopropyl-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) 3.99 8.26 -9.44 1 3 0 38 261.756 4 ↓
Mid Mid (pH 6-8) 3.99 8.34 -25.46 2 3 1 39 262.764 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]phthalazin-1-amine 4-chloro-N-[(1R)-2-cyclopropyl-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) 3.99 8.33 -9.44 1 3 0 38 261.756 4 ↓
Mid Mid (pH 6-8) 3.99 8.42 -25.67 2 3 1 39 262.764 4 ↓

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]phthalazin-1-amine 4-chloro-N-[(1S)-1-(cyclopropylm…

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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) 4.52 8.79 -8.95 1 3 0 38 275.783 5 ↓
Mid Mid (pH 6-8) 4.52 8.84 -25.1 2 3 1 39 276.791 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]phthalazin-1-amine 4-chloro-N-[(1R)-1-(cyclopropylm…

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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) 4.52 8.87 -8.92 1 3 0 38 275.783 5 ↓
Mid Mid (pH 6-8) 4.52 8.92 -25.19 2 3 1 39 276.791 5 ↓

Parameters Provided:

ring.id = 522287
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 = 522287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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