UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1846476
1846476

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Popular Name: USAN) USAN)

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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) 1.65 0.93 -17.65 4 6 0 101 337.788 2 ↓

Analogs

896838
896838

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Popular Name: Quinethazone Quinethazone

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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) 0.93 -1.86 -16.82 4 6 0 101 289.744 2 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one 3-(4-fluorophenyl)-2-(2,3,4,5,6-…

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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) 5.01 4.53 -10.44 1 3 0 32 408.301 2 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one 3-(4-fluorophenyl)-2-(2,3,4,5,6-…

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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) 5.01 4.54 -10.44 1 3 0 32 408.301 2 ↓

Analogs

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Popular Name: 3-(4-hydroxyphenyl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one 3-(4-hydroxyphenyl)-2-(4-methyls…

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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) 4.27 8.58 -13.2 2 4 0 53 362.454 3 ↓

Analogs

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Popular Name: 3-(4-hydroxyphenyl)-2-(4-methylsulfanylphenyl)-1,2-dihydroquinazolin-4-one 3-(4-hydroxyphenyl)-2-(4-methyls…

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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) 4.27 8.58 -13.75 2 4 0 53 362.454 3 ↓

Analogs

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Popular Name: 2,2-dimethyl-3-(p-tolyl)-1H-quinazolin-4-one 2,2-dimethyl-3-(p-tolyl)-1H-quin…

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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) 2.87 0.21 -10.89 1 3 0 32 266.344 1 ↓

Analogs

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Popular Name: 2-benzo[1,3]dioxol-5-yl-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-(4-mor…

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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) 4.15 -3.69 -14.2 1 7 0 63 429.476 3 ↓

Analogs

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Popular Name: 2-benzo[1,3]dioxol-5-yl-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-(4-mor…

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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) 4.15 -3.69 -14.48 1 7 0 63 429.476 3 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-fluorophenyl)-3-(4-morpholi…

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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) 4.43 -2.11 -13.54 1 5 0 44 403.457 3 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-fluorophenyl)-3-(4-morpholi…

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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) 4.43 -2.12 -13.55 1 5 0 44 403.457 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-chlorophenyl)-3-(4-morpholi…

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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) 4.94 -3 -12.88 1 5 0 44 419.912 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-3-(4-morpholinophenyl)-1,2-dihydroquinazolin-4-one 2-(4-chlorophenyl)-3-(4-morpholi…

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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) 4.94 -3.01 -12.98 1 5 0 44 419.912 3 ↓

Analogs

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Popular Name: N-[4-[2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide N-[4-[2-(3-chlorophenyl)-4-oxo-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) 4.19 -0.88 -23.18 2 5 0 61 391.858 3 ↓

Analogs

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Popular Name: N-[4-[2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide N-[4-[2-(3-chlorophenyl)-4-oxo-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) 4.19 -0.89 -17.91 2 5 0 61 391.858 3 ↓

Analogs

709256
709256

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Popular Name: 2-benzo[1,3]dioxol-5-yl-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-[(4-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) 3.49 -1.31 -20.91 1 6 0 60 388.423 4 ↓

Analogs

709256
709256

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Popular Name: 2-benzo[1,3]dioxol-5-yl-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one 2-benzo[1,3]dioxol-5-yl-3-[(4-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) 3.49 -0.58 -15.79 1 6 0 60 388.423 4 ↓

Analogs

15249078
15249078
15249081
15249081
8991265
8991265
8991266
8991266

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Popular Name: 3-[(4-methoxyphenyl)methyl]-2-phenyl-1,2-dihydroquinazolin-4-one 3-[(4-methoxyphenyl)methyl]-2-ph…

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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) 3.60 0.25 -12.03 1 4 0 41 344.414 4 ↓

Analogs

15249078
15249078
15249081
15249081

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Popular Name: 3-[(4-methoxyphenyl)methyl]-2-phenyl-1,2-dihydroquinazolin-4-one 3-[(4-methoxyphenyl)methyl]-2-ph…

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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) 3.60 0.25 -12.93 1 4 0 41 344.414 4 ↓

Analogs

11535882
11535882
196092
196092

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Popular Name: 2-(3-pyridyl)-1,2,3-trihydroquinazolin-4-one, 95% 2-(3-pyridyl)-1,2,3-trihydroquin…

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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) 1.13 3.59 -11.8 2 4 0 54 225.251 1 ↓

Analogs

196092
196092

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Popular Name: 2-(3-pyridyl)-1,2,3-trihydroquinazolin-4-one, 95% 2-(3-pyridyl)-1,2,3-trihydroquin…

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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) 1.13 3.58 -11.79 2 4 0 54 225.251 1 ↓

Analogs

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Popular Name: 4-[(2S)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]benzoic 4-[(2S)-4-oxo-2,3-dihydro-1H-qui…

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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) 2.28 4.99 -61.27 2 5 -1 81 267.264 2 ↓

Analogs

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Popular Name: 4-[(2R)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]benzoic 4-[(2R)-4-oxo-2,3-dihydro-1H-qui…

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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) 2.28 4.99 -61.34 2 5 -1 81 267.264 2 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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 10.03 -13.89 2 3 0 41 324.383 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(9-anthracenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(9-anthra…

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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 10.03 -13.88 2 3 0 41 324.383 1 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 8.65 -15.65 2 4 0 50 330.387 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(phenylmethoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 8.66 -15.67 2 4 0 50 330.387 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(1-methylethoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.17 6.28 -11.72 2 4 0 50 282.343 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(1-methylethoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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) 3.17 6.28 -11.64 2 4 0 50 282.343 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(2-methylpropoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 7.15 -11.47 2 4 0 50 296.37 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[4-(2-methylpropoxy)phenyl]- 4(1H)-quinazolinone, 2,3-dihydro…

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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 7.15 -11.48 2 4 0 50 296.37 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(4-butoxy…

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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) 3.87 7.17 -14.24 2 4 0 50 296.37 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro- 4(1H)-quinazolinone, 2-(4-butoxy…

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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) 3.87 7.18 -14.21 2 4 0 50 296.37 5 ↓

Analogs

9379381
9379381
9379382
9379382

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Popular Name: (2S)-2-(3-ethoxy-4-propoxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(3-ethoxy-4-propoxy-pheny…

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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) 3.27 7.24 -16.93 2 5 0 60 326.396 6 ↓

Analogs

9379381
9379381
9379382
9379382

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Popular Name: (2R)-2-(3-ethoxy-4-propoxy-phenyl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(3-ethoxy-4-propoxy-pheny…

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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) 3.27 7.24 -16.93 2 5 0 60 326.396 6 ↓

Analogs

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Popular Name: (2S)-2-(3,4-diethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(3,4-diethoxyphenyl)-2,3-…

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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) 2.77 6.48 -14.9 2 5 0 60 312.369 5 ↓

Analogs

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Popular Name: (2R)-2-(3,4-diethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(3,4-diethoxyphenyl)-2,3-…

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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) 2.77 6.48 -14.95 2 5 0 60 312.369 5 ↓

Analogs

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Popular Name: (2S)-2-[4-(p-tolylmethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[4-(p-tolylmethoxy)phenyl…

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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) 4.47 9.4 -12.84 2 4 0 50 344.414 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(p-tolylmethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one (2R)-2-[4-(p-tolylmethoxy)phenyl…

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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) 4.47 9.4 -12.84 2 4 0 50 344.414 4 ↓

Analogs

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Popular Name: (2S)-2-[4-(2-naphthylmethoxy)phenyl]-2,3-dihydro-1H-quinazolin-4-one (2S)-2-[4-(2-naphthylmethoxy)phe…

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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) 5.21 10.96 -14.13 2 4 0 50 380.447 4 ↓

Analogs

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Popular Name: (2S)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(5-chloro-3-methyl-1-phen…

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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) 3.05 7.95 -15.12 2 5 0 59 338.798 2 ↓

Analogs

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Popular Name: (2R)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(5-chloro-3-methyl-1-phen…

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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) 3.05 7.94 -15.22 2 5 0 59 338.798 2 ↓

Analogs

12536735
12536735

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Popular Name: (2S)-2-(6-methoxy-2-naphthyl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(6-methoxy-2-naphthyl)-2,…

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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) 3.59 7 -13.44 2 4 0 50 304.349 2 ↓

Analogs

12536734
12536734

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Popular Name: (2R)-2-(6-methoxy-2-naphthyl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(6-methoxy-2-naphthyl)-2,…

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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) 3.59 7.01 -13.4 2 4 0 50 304.349 2 ↓

Analogs

12536737
12536737

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Popular Name: (2S)-2-(3,4-difluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(3,4-difluorophenyl)-2,3-…

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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) 2.63 5.54 -12.38 2 3 0 41 260.243 1 ↓

Analogs

12536736
12536736

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Popular Name: (2R)-2-(3,4-difluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(3,4-difluorophenyl)-2,3-…

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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) 2.63 5.54 -14.8 2 3 0 41 260.243 1 ↓

Analogs

12536739
12536739

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Popular Name: (2S)-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2S)-2-(1-phenylpyrazol-4-yl)-2,…

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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) 2.02 6.14 -14.44 2 5 0 59 290.326 2 ↓

Analogs

12536738
12536738

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Popular Name: (2R)-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (2R)-2-(1-phenylpyrazol-4-yl)-2,…

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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) 2.02 6.15 -14.45 2 5 0 59 290.326 2 ↓

Analogs

12536741
12536741

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Popular Name: 2-[4-[(2S)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]phenoxy]acetamide 2-[4-[(2S)-4-oxo-2,3-dihydro-1H-…

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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) 1.16 2.83 -22.22 4 6 0 93 297.314 4 ↓

Analogs

12536740
12536740

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Popular Name: 2-[4-[(2R)-4-oxo-2,3-dihydro-1H-quinazolin-2-yl]phenoxy]acetamide 2-[4-[(2R)-4-oxo-2,3-dihydro-1H-…

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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) 1.16 2.83 -22.19 4 6 0 93 297.314 4 ↓

Parameters Provided:

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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 = 233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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