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

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 3.67 9.91 -6.78 1 3 0 38 255.365 2 ↓
Lo Low (pH 4.5-6) 3.67 10.37 -26.84 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 3.67 9.28 -7.16 1 3 0 38 255.365 2 ↓
Lo Low (pH 4.5-6) 3.67 9.74 -27.08 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 3.67 9.61 -7.13 1 3 0 38 255.365 2 ↓
Lo Low (pH 4.5-6) 3.67 10.08 -27.01 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 3.67 9.38 -7.16 1 3 0 38 255.365 2 ↓
Lo Low (pH 4.5-6) 3.67 9.84 -27.08 2 3 1 39 256.373 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-amine 2-chloro-N-[(1S,2R,4R)-2,4-dimet…

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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) 4.67 9.72 -7.8 1 3 0 38 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-amine 2-chloro-N-[(1S,2R,4S)-2,4-dimet…

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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) 4.67 9.09 -8.22 1 3 0 38 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]quinazolin-4-amine 2-chloro-N-[(1R,2R,4R)-2,4-dimet…

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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) 4.67 9.41 -8.28 1 3 0 38 289.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]quinazolin-4-amine 2-chloro-N-[(1R,2R,4S)-2,4-dimet…

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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) 4.67 9.18 -8.31 1 3 0 38 289.81 2 ↓

Analogs

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Popular Name: 4-[(8-bromoquinazolin-4-yl)amino]cyclohexanol 4-[(8-bromoquinazolin-4-yl)amino…

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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) 2.57 5.92 -9.72 2 4 0 58 322.206 2 ↓

Analogs

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Popular Name: N-cyclohexyl-N-methyl-quinazolin-4-amine N-cyclohexyl-N-methyl-quinazolin…

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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) 3.67 9.61 -6.74 0 3 0 29 241.338 2 ↓
Mid Mid (pH 6-8) 3.67 10.07 -28.04 1 3 1 30 242.346 2 ↓

Analogs

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Popular Name: 5-fluoro-N-[(1S,3R)-3-methylcyclohexyl]quinazolin-4-amine 5-fluoro-N-[(1S,3R)-3-methylcycl…

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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) 3.55 8.98 -5.77 1 3 0 38 259.328 2 ↓
Lo Low (pH 4.5-6) 3.55 9.44 -28.96 2 3 1 39 260.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-[(1S,3S)-3-methylcyclohexyl]quinazolin-4-amine 5-fluoro-N-[(1S,3S)-3-methylcycl…

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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) 3.55 9.28 -5.83 1 3 0 38 259.328 2 ↓
Lo Low (pH 4.5-6) 3.55 9.74 -28.99 2 3 1 39 260.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-[(1R,3R)-3-methylcyclohexyl]quinazolin-4-amine 5-fluoro-N-[(1R,3R)-3-methylcycl…

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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) 3.55 9.3 -5.84 1 3 0 38 259.328 2 ↓
Lo Low (pH 4.5-6) 3.55 9.76 -28.98 2 3 1 39 260.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-N-[(1R,3S)-3-methylcyclohexyl]quinazolin-4-amine 5-fluoro-N-[(1R,3S)-3-methylcycl…

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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) 3.55 8.99 -5.85 1 3 0 38 259.328 2 ↓
Lo Low (pH 4.5-6) 3.55 9.45 -28.96 2 3 1 39 260.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(quinazolin-4-ylamino)cyclohexanecarboxylic 4-(quinazolin-4-ylamino)cyclohex…

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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) 2.07 8.78 -51.29 1 5 -1 78 270.312 3 ↓
Lo Low (pH 4.5-6) 2.07 9.25 -60.5 2 5 0 79 271.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-quinazolin-4-yl-propane-1,3-diamine N-cyclohexyl-N-quinazolin-4-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) 2.74 8.44 -48.85 3 4 1 57 285.415 5 ↓
Mid Mid (pH 6-8) 2.74 8.9 -87.19 4 4 2 58 286.423 5 ↓

Parameters Provided:

ring.id = 299373
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 = 299373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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