UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-methyl-1-piperidyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.80 11.91 -53.52 2 4 1 37 350.486 4 ↓
Hi High (pH 8-9.5) 3.80 9.66 -9.36 1 4 0 36 349.478 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-methyl-1-piperidyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.80 10.58 -54.72 2 4 1 37 350.486 4 ↓
Hi High (pH 8-9.5) 3.80 8.33 -9.33 1 4 0 36 349.478 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-hydroxy-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-hydroxy-1-[2-(4-methyl-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.07 -57.66 3 5 1 57 366.485 4 ↓
Hi High (pH 8-9.5) 3.29 6.81 -11.23 2 5 0 56 365.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-hydroxy-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-6-hydroxy-1-[2-(4-methyl-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.71 -58.06 3 5 1 57 366.485 4 ↓
Hi High (pH 8-9.5) 3.29 5.46 -10.94 2 5 0 56 365.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-methoxy-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-methoxy-1-[2-(4-methyl-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.22 -57.86 2 5 1 46 380.512 5 ↓
Hi High (pH 8-9.5) 3.83 8.96 -11.77 1 5 0 45 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-methoxy-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-6-methoxy-1-[2-(4-methyl-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.86 -59.12 2 5 1 46 380.512 5 ↓
Hi High (pH 8-9.5) 3.83 7.61 -11.33 1 5 0 45 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-aminophenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-aminophenyl)-1-[2-(4-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.81 -53.46 4 5 1 63 365.501 4 ↓
Hi High (pH 8-9.5) 2.87 7.56 -10.05 3 5 0 62 364.493 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-aminophenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-aminophenyl)-1-[2-(4-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.44 -54.75 4 5 1 63 365.501 4 ↓
Hi High (pH 8-9.5) 2.87 6.2 -9.91 3 5 0 62 364.493 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-2-(4-methoxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-(4-methoxyphenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.90 9.09 -55.26 4 6 1 72 395.527 5 ↓
Hi High (pH 8-9.5) 2.90 6.84 -11.18 3 6 0 71 394.519 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-amino-2-(4-methoxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-2-(4-methoxyphenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.90 7.72 -57.83 4 6 1 72 395.527 5 ↓
Hi High (pH 8-9.5) 2.90 5.48 -11.68 3 6 0 71 394.519 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-[2-(1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-phenyl-1-[2-(1-piperidyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.95 -53.64 2 4 1 37 336.459 4 ↓
Hi High (pH 8-9.5) 3.55 7.73 -9.31 1 4 0 36 335.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-1-[2-(1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-phenyl-1-[2-(1-piperidyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.27 -52.76 2 4 1 37 336.459 4 ↓
Hi High (pH 8-9.5) 3.55 9.06 -9.72 1 4 0 36 335.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-hydroxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-hydroxyphenyl)-1-[2-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.31 9.08 -56.1 3 5 1 57 366.485 4 ↓
Hi High (pH 8-9.5) 3.31 6.83 -10.92 2 5 0 56 365.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-hydroxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-hydroxyphenyl)-1-[2-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.31 7.71 -58.94 3 5 1 57 366.485 4 ↓
Hi High (pH 8-9.5) 3.31 5.47 -11.39 2 5 0 56 365.477 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-2-(4-hydroxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-(4-hydroxyphenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.37 6.94 -56.01 5 6 1 83 381.5 4 ↓
Hi High (pH 8-9.5) 2.37 4.69 -11.44 4 6 0 82 380.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-amino-2-(4-hydroxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-2-(4-hydroxyphenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.37 5.57 -58.74 5 6 1 83 381.5 4 ↓
Hi High (pH 8-9.5) 2.37 3.32 -11.83 4 6 0 82 380.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1R)-1-methyl-2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.12 11.95 -54.14 2 4 1 37 364.513 4 ↓
Hi High (pH 8-9.5) 4.12 10.09 -8.64 1 4 0 36 363.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1S)-1-methyl-2-(4-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.12 12.25 -46.08 2 4 1 37 364.513 4 ↓
Hi High (pH 8-9.5) 4.12 9.89 -10.28 1 4 0 36 363.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-methoxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-methoxyphenyl)-1-[2-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.85 11.23 -55.37 2 5 1 46 380.512 5 ↓
Hi High (pH 8-9.5) 3.85 8.98 -10.6 1 5 0 45 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-methoxyphenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-methoxyphenyl)-1-[2-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.85 9.87 -58 2 5 1 46 380.512 5 ↓
Hi High (pH 8-9.5) 3.85 7.62 -11.2 1 5 0 45 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-amino-1-[2-(4-methyl-1-pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.85 9.78 -53.5 4 5 1 63 365.501 4 ↓
Hi High (pH 8-9.5) 2.85 7.53 -9.99 3 5 0 62 364.493 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-amino-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-6-amino-1-[2-(4-methyl-1-pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.85 8.44 -54.53 4 5 1 63 365.501 4 ↓
Hi High (pH 8-9.5) 2.85 6.19 -9.75 3 5 0 62 364.493 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-amino-2-(4-aminophenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-(4-aminophenyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 7.67 -53.37 6 6 1 89 380.516 4 ↓
Hi High (pH 8-9.5) 1.92 5.42 -10.6 5 6 0 88 379.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-amino-2-(4-aminophenyl)-1-[2-(4-methyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-2-(4-aminophenyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.92 6.29 -54.48 6 6 1 89 380.516 4 ↓
Hi High (pH 8-9.5) 1.92 4.05 -10.44 5 6 0 88 379.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2H-quinazolin-4-one (2R)-3-methyl-1-[2-(4-methyl-1-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.57 13.76 -53.93 1 4 1 28 364.513 4 ↓
Hi High (pH 8-9.5) 3.57 11.53 -9.81 0 4 0 27 363.505 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-1-[2-(4-methyl-1-piperidyl)ethyl]-2-phenyl-2H-quinazolin-4-one (2S)-3-methyl-1-[2-(4-methyl-1-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.57 12.66 -54.98 1 4 1 28 364.513 4 ↓
Hi High (pH 8-9.5) 3.57 10.42 -9.53 0 4 0 27 363.505 4 ↓

Parameters Provided:

ring.id = 197366
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 = 197366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=197366&filter.purchasability=annotated

Embed Link to Results