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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-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3-nitro-benzenesulfonamide N-[4-(2-methyl-4-oxo-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) 3.12 -2.9 -23.98 1 9 0 126 436.449 5 ↓
Hi High (pH 8-9.5) 3.12 -2.32 -48.5 0 9 -1 128 435.441 5 ↓

Analogs

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Popular Name: N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-nitro-benzenesulfonamide N-[4-(2-methyl-4-oxo-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) 3.14 -2.69 -18.47 1 9 0 126 436.449 5 ↓
Hi High (pH 8-9.5) 3.14 -2.11 -39.39 0 9 -1 128 435.441 5 ↓

Analogs

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Popular Name: 2-methyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide 2-methyl-N-[4-(2-methyl-4-oxo-qu…

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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 -2.53 -20.62 1 9 0 126 450.476 5 ↓
Hi High (pH 8-9.5) 3.52 -1.99 -44 0 9 -1 128 449.468 5 ↓

Analogs

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Popular Name: 2-chloro-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide 2-chloro-N-[4-(2-methyl-4-oxo-qu…

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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) 3.75 -2.6 -18.27 1 9 0 126 470.894 5 ↓
Hi High (pH 8-9.5) 3.75 -2.02 -44.48 0 9 -1 128 469.886 5 ↓

Analogs

5204357
5204357
4270391
4270391

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Popular Name: 2,4-difluoro-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2,4-difluoro-N-[4-(2-methyl-4-ox…

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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) 3.44 8.52 -14.15 1 6 0 81 427.432 4 ↓
Mid Mid (pH 6-8) 3.44 8.48 -46.51 0 6 -1 83 426.424 4 ↓

Analogs

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Popular Name: 2,4-difluoro-N-[2-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)-phenyl]-benzenesulfonamide 2,4-difluoro-N-[2-methyl-4-(2-me…

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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 -1.75 -16.18 1 6 0 81 441.459 4 ↓
Hi High (pH 8-9.5) 4.02 -1.17 -44.41 0 6 -1 83 440.451 4 ↓

Analogs

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Popular Name: 3-chloro-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 3-chloro-N-[4-(2-methyl-4-oxo-qu…

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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 -3.35 -16.46 1 6 0 81 425.897 4 ↓
Hi High (pH 8-9.5) 3.83 -2.77 -45.52 0 6 -1 83 424.889 4 ↓

Analogs

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Popular Name: N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide N-[4-(2-methyl-4-oxo-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) 4.05 -1.24 -18.79 1 6 0 81 459.449 5 ↓
Hi High (pH 8-9.5) 4.05 -0.67 -45.74 0 6 -1 83 458.441 5 ↓

Analogs

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Popular Name: N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide N-[4-(2-methyl-4-oxo-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) 4.03 -0.71 -17.53 1 6 0 81 459.449 5 ↓
Hi High (pH 8-9.5) 4.03 -0.18 -49.7 0 6 -1 83 458.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2-chloro-N-[4-(2-methyl-4-oxo-qu…

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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) 3.81 -3.12 -16.55 1 6 0 81 425.897 4 ↓
Hi High (pH 8-9.5) 3.81 -2.54 -48.41 0 6 -1 83 424.889 4 ↓

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 5-chloro-2-methoxy-N-[4-(2-methy…

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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) 3.84 -3.02 -18.53 1 7 0 90 455.923 5 ↓
Hi High (pH 8-9.5) 3.84 -2.44 -51.12 0 7 -1 92 454.915 5 ↓

Analogs

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Popular Name: 4-methoxy-2,5-dimethyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 4-methoxy-2,5-dimethyl-N-[4-(2-m…

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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 -2.21 -18.64 1 7 0 90 449.532 5 ↓
Hi High (pH 8-9.5) 3.99 -1.64 -48.47 0 7 -1 92 448.524 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-2,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)-phenyl]-benzenesulfonamide 4-methoxy-2,5-dimethyl-N-[2-meth…

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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) 4.58 -1.76 -17.08 1 7 0 90 463.559 5 ↓
Hi High (pH 8-9.5) 4.58 -1.24 -46 0 7 -1 92 462.551 5 ↓

Analogs

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Popular Name: 2-methoxy-4,5-dimethyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2-methoxy-4,5-dimethyl-N-[4-(2-m…

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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 -2.17 -17.92 1 7 0 90 449.532 5 ↓
Hi High (pH 8-9.5) 3.99 -1.59 -54.79 0 7 -1 92 448.524 5 ↓

Analogs

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Popular Name: 4-methoxy-2,3,5-trimethyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 4-methoxy-2,3,5-trimethyl-N-[4-(…

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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) 4.37 -2.1 -16.67 1 7 0 90 463.559 5 ↓
Hi High (pH 8-9.5) 4.37 -1.55 -46.13 0 7 -1 92 462.551 5 ↓

Analogs

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Popular Name: 2-ethoxy-5-isopropyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2-ethoxy-5-isopropyl-N-[4-(2-met…

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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) 5.05 -2.05 -18.06 1 7 0 90 477.586 7 ↓
Hi High (pH 8-9.5) 5.05 -1.47 -55 0 7 -1 92 476.578 7 ↓

Parameters Provided:

ring.id = 7844
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 7844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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