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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]quinazolin-4-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) 2.99 8.71 -7.55 1 3 0 38 227.311 4 ↓
Lo Low (pH 4.5-6) 2.99 9.17 -27.07 2 3 1 39 228.319 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]quinazolin-4-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) 2.99 8.78 -7.55 1 3 0 38 227.311 4 ↓
Lo Low (pH 4.5-6) 2.99 9.25 -27.24 2 3 1 39 228.319 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]quinazolin-4-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) 3.52 9.51 -7.13 1 3 0 38 241.338 5 ↓
Lo Low (pH 4.5-6) 3.52 9.97 -27.04 2 3 1 39 242.346 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]quinazolin-4-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) 3.52 9.59 -7.08 1 3 0 38 241.338 5 ↓
Lo Low (pH 4.5-6) 3.52 10.05 -27.15 2 3 1 39 242.346 5 ↓

Analogs

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Popular Name: 4-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinazoline-2-carboxylic 4-[[(1S)-2-cyclopropyl-1-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) 2.67 8.66 -63.16 1 5 -1 78 270.312 5 ↓
Mid Mid (pH 6-8) 2.67 9.07 -30.79 2 5 0 79 271.32 5 ↓

Analogs

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Popular Name: 4-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]quinazoline-2-carboxylic 4-[[(1R)-2-cyclopropyl-1-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) 2.67 8.74 -62.89 1 5 -1 78 270.312 5 ↓
Mid Mid (pH 6-8) 2.67 9.15 -30.76 2 5 0 79 271.32 5 ↓

Analogs

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Popular Name: 4-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]quinazoline-7-carboxylic 4-[[(1S)-2-cyclopropyl-1-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) 2.88 9.26 -50.65 1 5 -1 78 270.312 5 ↓
Lo Low (pH 4.5-6) 2.88 9.72 -49.06 2 5 0 79 271.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]quinazoline-7-carboxylic 4-[[(1R)-2-cyclopropyl-1-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) 2.88 9.33 -50.74 1 5 -1 78 270.312 5 ↓
Lo Low (pH 4.5-6) 2.88 9.8 -49.16 2 5 0 79 271.32 5 ↓

Analogs

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Popular Name: 4-[[(1S)-1-(cyclopropylmethyl)propyl]amino]quinazoline-2-carboxylic 4-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 3.20 9.45 -63.12 1 5 -1 78 284.339 6 ↓
Mid Mid (pH 6-8) 3.20 9.86 -30.68 2 5 0 79 285.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(cyclopropylmethyl)propyl]amino]quinazoline-2-carboxylic 4-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 3.20 9.53 -62.84 1 5 -1 78 284.339 6 ↓
Mid Mid (pH 6-8) 3.20 9.94 -30.68 2 5 0 79 285.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-(cyclopropylmethyl)propyl]amino]quinazoline-7-carboxylic 4-[[(1S)-1-(cyclopropylmethyl)pr…

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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 10.06 -50.98 1 5 -1 78 284.339 6 ↓
Lo Low (pH 4.5-6) 3.41 10.52 -49.12 2 5 0 79 285.347 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(cyclopropylmethyl)propyl]amino]quinazoline-7-carboxylic 4-[[(1R)-1-(cyclopropylmethyl)pr…

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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 10.14 -51.07 1 5 -1 78 284.339 6 ↓
Lo Low (pH 4.5-6) 3.41 10.6 -49.2 2 5 0 79 285.347 6 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]quinazolin-4-amine 2-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 8.51 -8.68 1 3 0 38 261.756 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]quinazolin-4-amine 2-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 8.58 -8.63 1 3 0 38 261.756 4 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-(cyclopropylmethyl)propyl]quinazolin-4-amine 2-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 9.3 -8.26 1 3 0 38 275.783 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-(cyclopropylmethyl)propyl]quinazolin-4-amine 2-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 9.37 -8.26 1 3 0 38 275.783 5 ↓

Parameters Provided:

ring.id = 522399
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 = 522399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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