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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-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-nitro-benzenesulfonamide N-[3-(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) 3.28 -1.97 -22.94 1 9 0 126 436.449 5 ↓
Hi High (pH 8-9.5) 3.28 -1.46 -60.1 0 9 -1 128 435.441 5 ↓

Analogs

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Popular Name: 2-methyl-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide 2-methyl-N-[3-(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) 3.70 -2.15 -19.81 1 9 0 126 450.476 5 ↓
Hi High (pH 8-9.5) 3.70 -1.6 -43.23 0 9 -1 128 449.468 5 ↓

Analogs

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Popular Name: 2-chloro-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide 2-chloro-N-[3-(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) 3.93 -2.66 -16.56 1 9 0 126 470.894 5 ↓
Hi High (pH 8-9.5) 3.93 -2.08 -41.67 0 9 -1 128 469.886 5 ↓

Analogs

5204357
5204357
4270391
4270391

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Popular Name: 2,4-difluoro-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2,4-difluoro-N-[3-(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) 3.62 -2 -14.49 1 6 0 81 427.432 4 ↓
Hi High (pH 8-9.5) 3.62 -1.42 -46.15 0 6 -1 83 426.424 4 ↓

Analogs

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Popular Name: 3-chloro-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 3-chloro-N-[3-(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) 4.02 -3.35 -15.2 1 6 0 81 425.897 4 ↓
Hi High (pH 8-9.5) 4.02 -2.77 -45.21 0 6 -1 83 424.889 4 ↓

Analogs

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Popular Name: N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide N-[3-(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) 4.24 -0.96 -15.89 1 6 0 81 459.449 5 ↓
Hi High (pH 8-9.5) 4.24 -0.38 -44.52 0 6 -1 83 458.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide N-[3-(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) 4.22 -0.64 -17.85 1 6 0 81 459.449 5 ↓
Hi High (pH 8-9.5) 4.22 -0.12 -53.05 0 6 -1 83 458.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2-chloro-N-[3-(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) 4.00 -3.57 -18.2 1 6 0 81 425.897 4 ↓
Hi High (pH 8-9.5) 4.00 -2.99 -54.82 0 6 -1 83 424.889 4 ↓

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 5-chloro-2-methoxy-N-[3-(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) 4.03 -2.84 -14.14 1 7 0 90 455.923 5 ↓
Hi High (pH 8-9.5) 4.03 -2.26 -46.84 0 7 -1 92 454.915 5 ↓

Analogs

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Popular Name: 4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 4-methoxy-2,5-dimethyl-N-[3-(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) 4.18 -2.29 -16.35 1 7 0 90 449.532 5 ↓
Hi High (pH 8-9.5) 4.18 -1.72 -45.73 0 7 -1 92 448.524 5 ↓

Analogs

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Popular Name: 2-methoxy-4,5-dimethyl-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-benzenesulfonamide 2-methoxy-4,5-dimethyl-N-[3-(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) 4.18 -2.1 -15.23 1 7 0 90 449.532 5 ↓
Hi High (pH 8-9.5) 4.18 -1.52 -52.13 0 7 -1 92 448.524 5 ↓

Analogs

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

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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) 4.55 -1.69 -15.14 1 7 0 90 463.559 5 ↓
Hi High (pH 8-9.5) 4.55 -1.13 -49.93 0 7 -1 92 462.551 5 ↓

Analogs

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Popular Name: N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide N-[2-chloro-5-(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) 5.72 10.96 -44.45 0 6 -1 83 560.883 6 ↓
Lo Low (pH 4.5-6) 5.72 10.9 -12.54 1 6 0 81 561.891 6 ↓

Analogs

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Popular Name: 5-bromo-N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-ethoxy-benzenesulfonamide 5-bromo-N-[2-chloro-5-(2-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) 5.17 10.24 -59.62 0 7 -1 92 547.838 6 ↓
Mid Mid (pH 6-8) 5.17 10.28 -16.72 1 7 0 90 548.846 6 ↓

Analogs

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Popular Name: N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-iodo-benzenesulfonamide N-[2-chloro-5-(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) 5.08 10.04 -48.17 0 6 -1 83 550.785 4 ↓
Mid Mid (pH 6-8) 5.08 9.97 -13.08 1 6 0 81 551.793 4 ↓

Analogs

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Popular Name: N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide N-[2-chloro-5-(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) 4.22 10.83 -44.52 0 12 -1 175 528.91 6 ↓

Analogs

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Popular Name: 2-chloro-N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide 2-chloro-N-[2-chloro-5-(2-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) 5.50 10.49 -49.89 0 6 -1 83 527.331 5 ↓
Lo Low (pH 4.5-6) 5.50 10.03 -17.66 1 6 0 81 528.339 5 ↓

Analogs

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Popular Name: 5-bromo-N-[2-chloro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-methoxy-benzenesulfonamide 5-bromo-N-[2-chloro-5-(2-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) 4.79 9.32 -56.49 0 7 -1 92 533.811 5 ↓
Mid Mid (pH 6-8) 4.79 8.77 -19.56 1 7 0 90 534.819 5 ↓

Analogs

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Popular Name: N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide N-[2-fluoro-5-(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) 5.20 10.54 -44.48 0 6 -1 83 544.428 6 ↓
Lo Low (pH 4.5-6) 5.20 10.4 -12.86 1 6 0 81 545.436 6 ↓

Analogs

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

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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) 4.65 9.86 -56.91 0 7 -1 92 531.383 6 ↓
Mid Mid (pH 6-8) 4.65 9.78 -17.06 1 7 0 90 532.391 6 ↓

Analogs

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Popular Name: N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-iodo-benzenesulfonamide N-[2-fluoro-5-(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) 4.57 9.62 -48.1 0 6 -1 83 534.33 4 ↓
Mid Mid (pH 6-8) 4.57 9.47 -13.42 1 6 0 81 535.338 4 ↓

Analogs

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Popular Name: 5-bromo-N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-methoxy-benzenesulfonamide 5-bromo-N-[2-fluoro-5-(2-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) 4.28 8.91 -56.09 0 7 -1 92 517.356 5 ↓
Mid Mid (pH 6-8) 4.28 8.29 -19.9 1 7 0 90 518.364 5 ↓

Parameters Provided:

ring.id = 7843
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 = 7843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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