UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

13013756
13013756
13013757
13013757

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2S)-2-methyl-4-oxo-3-(p-tolylmethyl)-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-2-methyl-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) 3.33 11.35 -61 1 7 -1 91 445.495 7 ↓

Analogs

13013756
13013756
13013757
13013757

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Popular Name: 2-[2-methoxy-4-[(2R)-2-methyl-4-oxo-3-(p-tolylmethyl)-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-2-methyl-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) 3.33 10.9 -60.92 1 7 -1 91 445.495 7 ↓

Analogs

13013758
13013758
13013760
13013760

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Popular Name: 2-[3-[(2R)-2-methyl-4-oxo-3-(p-tolylmethyl)-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-2-methyl-4-oxo-3-(p-t…

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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) 3.72 11.58 -52.5 1 6 -1 82 415.469 6 ↓

Analogs

13013758
13013758
13013760
13013760

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Popular Name: 2-[3-[(2S)-2-methyl-4-oxo-3-(p-tolylmethyl)-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-2-methyl-4-oxo-3-(p-t…

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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) 3.72 11.25 -68.26 1 6 -1 82 415.469 6 ↓

Analogs

13013762
13013762
13013763
13013763
7884250
7884250
7884251
7884251

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Popular Name: 2-[2-methoxy-4-[(2R)-4-oxo-3-(p-tolylmethyl)-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-4-oxo-3-(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) 2.88 11.57 -60.99 1 7 -1 91 431.468 7 ↓

Analogs

13013762
13013762
13013763
13013763
7884250
7884250
7884251
7884251

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Popular Name: 2-[2-methoxy-4-[(2S)-4-oxo-3-(p-tolylmethyl)-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-4-oxo-3-(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) 2.88 11.61 -60.68 1 7 -1 91 431.468 7 ↓

Analogs

13013754
13013754
13013755
13013755

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Popular Name: 2-[4-[(2R)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2R)-3-benzyl-2-methyl-4-o…

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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) 3.29 10.46 -56.19 1 6 -1 82 401.442 6 ↓

Analogs

13013754
13013754
13013755
13013755

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Popular Name: 2-[4-[(2S)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2S)-3-benzyl-2-methyl-4-o…

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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) 3.29 10.92 -55.95 1 6 -1 82 401.442 6 ↓

Analogs

13013756
13013756
13013757
13013757

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Popular Name: 2-[4-[(2S)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy]acetic 2-[4-[(2S)-3-benzyl-2-methyl-4-o…

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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) 2.88 10.67 -60.92 1 7 -1 91 431.468 7 ↓

Analogs

13013756
13013756
13013757
13013757

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]-2-methoxy-phenoxy]acetic 2-[4-[(2R)-3-benzyl-2-methyl-4-o…

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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) 2.88 10.66 -60.95 1 7 -1 91 431.468 7 ↓

Analogs

13013758
13013758
13013760
13013760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2R)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-3-benzyl-2-methyl-4-o…

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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 10.9 -52.38 1 6 -1 82 401.442 6 ↓

Analogs

13013758
13013758
13013760
13013760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2S)-3-benzyl-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-3-benzyl-2-methyl-4-o…

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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 10.93 -52.36 1 6 -1 82 401.442 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(phenylmethyl)- 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) 3.08 10.67 -16.84 1 6 0 60 418.493 8 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(phenylmethyl)- 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) 3.08 10.59 -16.67 1 6 0 60 418.493 8 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-methylphenyl)-3-(phenylmethyl)- 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) 4.44 11.3 -12.28 1 3 0 32 342.442 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-methylphenyl)-3-(phenylmethyl)- 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) 4.44 11.68 -11.62 1 3 0 32 342.442 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-phenyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-ethyl-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) 4.49 11.58 -11.07 1 3 0 32 342.442 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-phenyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-ethyl-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) 4.49 10.49 -11.84 1 3 0 32 342.442 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(3-nitrophenyl)-3-(phenylmethyl)- 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) 3.92 11.72 -13.8 1 6 0 78 373.412 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(3-nitrophenyl)-3-(phenylmethyl)- 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) 3.92 11.22 -23.89 1 6 0 78 373.412 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-butyl-2,3-dihydro-2-phenyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-butyl-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) 5.56 13.09 -10.7 1 3 0 32 370.496 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-butyl-2,3-dihydro-2-phenyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-butyl-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) 5.56 12.03 -11.31 1 3 0 32 370.496 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-bromophenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-bromop…

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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) 4.80 11.63 -11.71 1 3 0 32 407.311 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-bromophenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-bromop…

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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) 4.80 11.13 -12.16 1 3 0 32 407.311 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-phenyl-3-(phenylmethyl)- 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) 3.99 11.01 -11.63 1 3 0 32 328.415 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-phenyl-3-(phenylmethyl)- 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) 3.99 10.51 -12.27 1 3 0 32 328.415 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-phenyl-3-(phenylmethyl)-2-propyl- 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) 5.05 12.33 -10.74 1 3 0 32 356.469 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-phenyl-3-(phenylmethyl)-2-propyl- 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) 5.05 11.24 -11.41 1 3 0 32 356.469 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-nitrophenyl)-3-(phenylmethyl)- 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) 3.95 11.72 -15.71 1 6 0 78 373.412 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-nitrophenyl)-3-(phenylmethyl)- 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) 3.95 11.22 -16.37 1 6 0 78 373.412 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxyphenyl)-2-methyl-3-(phenylmethyl)- 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) 4.05 10.31 -13.31 1 4 0 42 358.441 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxyphenyl)-2-methyl-3-(phenylmethyl)- 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) 4.05 9.92 -14.36 1 4 0 42 358.441 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-chlorophenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-chloro…

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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 11.53 -11.81 1 3 0 32 362.86 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-chlorophenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-chloro…

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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 11.03 -12.34 1 3 0 32 362.86 3 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(2,4-dime…

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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 9.69 -10.75 1 5 0 51 388.467 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(2,4-dime…

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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 9.58 -10.77 1 5 0 51 388.467 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-pentyl-2-phenyl-3-(phenylmethyl)- 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) 6.06 13.87 -10.69 1 3 0 32 384.523 7 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-pentyl-2-phenyl-3-(phenylmethyl)- 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) 6.06 12.82 -11.38 1 3 0 32 384.523 7 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-methylethyl)-2-phenyl-3-(phenylmethyl)- 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) 4.74 11.92 -10.3 1 3 0 32 356.469 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-methylethyl)-2-phenyl-3-(phenylmethyl)- 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) 4.74 11.87 -10.37 1 3 0 32 356.469 4 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-ethoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-ethoxy…

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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) 4.42 10.85 -12.72 1 4 0 42 372.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(4-ethoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 4(1H)-quinazolinone, 2-(4-ethoxy…

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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) 4.42 11.22 -13.1 1 4 0 42 372.468 5 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(phenylmethyl)-2-(4-propoxyphenyl)- 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) 4.92 11.65 -12.46 1 4 0 42 386.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(phenylmethyl)-2-(4-propoxyphenyl)- 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) 4.92 12.02 -12.86 1 4 0 42 386.495 6 ↓

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 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) 5.48 12.43 -12.37 1 4 0 42 400.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro-2-methyl-3-(phenylmethyl)- 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) 5.48 12.8 -12.78 1 4 0 42 400.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-(pentyloxy)phenyl]-3-(phenylmethyl)- 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) 5.99 13.21 -12.3 1 4 0 42 414.549 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-(pentyloxy)phenyl]-3-(phenylmethyl)- 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) 5.99 13.59 -12.72 1 4 0 42 414.549 8 ↓

Parameters Provided:

ring.id = 7310
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 = 7310 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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