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

5744976
5744976

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Popular Name: (6E)-6-[4-(2-furylmethylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[4-(2-furylmethylamino)-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) 4.02 7.61 -11.37 2 5 0 71 317.348 4 ↓
Lo Low (pH 4.5-6) 4.02 7.95 -26.29 3 5 1 72 318.356 4 ↓

Analogs

5744976
5744976

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Popular Name: (6E)-6-[4-(2-furylmethylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-(2-furylmethylamino)-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) 3.83 8.45 -61.71 1 6 -1 83 346.366 5 ↓
Mid Mid (pH 6-8) 3.83 7.54 -13.26 2 6 0 80 347.374 5 ↓
Lo Low (pH 4.5-6) 3.83 7.88 -11.81 3 6 0 82 348.382 5 ↓

Analogs

5744976
5744976

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Popular Name: [2-(4-tert-butylphenyl)quinazolin-4-yl]-(2-furfuryl)amine [2-(4-tert-butylphenyl)quinazoli…

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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) 6.00 0.96 -9.72 1 4 0 50 357.457 5 ↓

Analogs

5776989
5776989

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Popular Name: [2-(2,4-dichlorophenyl)quinazolin-4-yl]-(2-furfuryl)amine [2-(2,4-dichlorophenyl)quinazoli…

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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) 5.57 -0.03 -8.45 1 4 0 50 370.239 4 ↓

Analogs

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Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]-N-isobutyl-propanamide 3-[[2-(4-fluorophenyl)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) 5.20 13.25 -17.19 1 6 0 71 446.526 9 ↓
Lo Low (pH 4.5-6) 5.20 13.59 -39.16 2 6 1 73 447.534 9 ↓

Analogs

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Popular Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]propanoic 3-[[2-(2-chlorophenyl)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) 4.68 14.15 -52.87 0 6 -1 82 406.849 7 ↓
Lo Low (pH 4.5-6) 4.68 14.59 -53.13 1 6 0 84 407.857 7 ↓

Analogs

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Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]propanoic 3-[[2-(4-fluorophenyl)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) 4.22 13.27 -50 0 6 -1 82 390.394 7 ↓
Lo Low (pH 4.5-6) 4.22 13.62 -52.33 1 6 0 84 391.402 7 ↓

Analogs

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Popular Name: 3-[[2-(3-bromophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]propanoic 3-[[2-(3-bromophenyl)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) 4.84 13.83 -50.73 0 6 -1 82 451.3 7 ↓
Lo Low (pH 4.5-6) 4.84 14.17 -54.24 1 6 0 84 452.308 7 ↓

Analogs

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Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]-N-(2-methoxyethyl)propanamide 3-[[2-(4-fluorophenyl)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) 4.06 10.81 -17.86 1 7 0 80 448.498 10 ↓
Lo Low (pH 4.5-6) 4.06 11.16 -38.73 2 7 1 82 449.506 10 ↓

Analogs

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Popular Name: 3-[2-furylmethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-[(1R)-1-methylpropyl]propanamide 3-[2-furylmethyl-[2-(4-methoxyph…

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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) 5.18 12.74 -19.17 1 7 0 80 458.562 10 ↓
Mid Mid (pH 6-8) 5.18 13.09 -37.16 2 7 1 82 459.57 10 ↓

Analogs

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Popular Name: 3-[2-furylmethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-[(1S)-1-methylpropyl]propanamide 3-[2-furylmethyl-[2-(4-methoxyph…

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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) 5.18 12.74 -19.15 1 7 0 80 458.562 10 ↓
Mid Mid (pH 6-8) 5.18 13.09 -37.24 2 7 1 82 459.57 10 ↓

Analogs

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Popular Name: 3-[2-furylmethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propanoic 3-[2-furylmethyl-[2-(4-methoxyph…

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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) 4.11 12.86 -42.11 1 7 0 93 403.438 8 ↓
Mid Mid (pH 6-8) 4.11 12.85 -51.13 1 7 0 93 403.438 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]-N-[(1R)-1-methylpropyl]propanamide 3-[[2-(4-fluorophenyl)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) 5.28 13.51 -17.26 1 6 0 71 446.526 9 ↓
Lo Low (pH 4.5-6) 5.28 13.85 -38.93 2 6 1 73 447.534 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-fluorophenyl)quinazolin-4-yl]-(2-furylmethyl)amino]-N-[(1S)-1-methylpropyl]propanamide 3-[[2-(4-fluorophenyl)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) 5.28 13.51 -17.26 1 6 0 71 446.526 9 ↓
Lo Low (pH 4.5-6) 5.28 13.85 -39.02 2 6 1 73 447.534 9 ↓

Parameters Provided:

ring.id = 114740
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 = 114740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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