UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5066031
5066031

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-ethyl-1-piperidyl)quinazolin-2-yl]phenol 2-[4-(2-ethyl-1-piperidyl)quinaz…

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) 5.38 10 -10.01 1 4 0 49 333.435 3 ↓
Mid Mid (pH 6-8) 5.39 11.07 -35.12 1 4 0 53 333.435 3 ↓

Analogs

5066031
5066031

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-ethyl-1-piperidyl)quinazolin-2-yl]phenol 2-[4-(2-ethyl-1-piperidyl)quinaz…

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) 5.38 10.01 -10.16 1 4 0 49 333.435 3 ↓
Mid Mid (pH 6-8) 5.39 11.15 -35.32 1 4 0 53 333.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-ethyl-1-piperidyl]-2-(2-fluorophenyl)quinazoline 4-[(2R)-2-ethyl-1-piperidyl]-2-(…

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) 5.77 11.58 -10.82 0 3 0 29 335.426 3 ↓
Mid Mid (pH 6-8) 5.77 11.9 -27.56 1 3 1 30 336.434 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-ethyl-1-piperidyl]-2-(2-fluorophenyl)quinazoline 4-[(2S)-2-ethyl-1-piperidyl]-2-(…

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) 5.77 11.57 -10.94 0 3 0 29 335.426 3 ↓
Mid Mid (pH 6-8) 5.77 11.8 -19.53 1 3 1 30 336.434 3 ↓

Analogs

13127425
13127425
13127691
13127691
13127692
13127692

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-[4-[(2R)-2-ethyl-1-piperidyl]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-[(2R)-2-ethyl-1-piperi…

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) 5.20 9.95 -11.62 1 5 0 58 363.461 4 ↓
Mid Mid (pH 6-8) 5.20 10.85 -62.23 0 5 -1 61 362.453 4 ↓
Mid Mid (pH 6-8) 4.94 11.75 -44.34 2 5 1 59 364.469 3 ↓

Analogs

13127691
13127691
13127692
13127692
13127424
13127424

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-[4-[(2S)-2-ethyl-1-piperidyl]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one (6E)-6-[4-[(2S)-2-ethyl-1-piperi…

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) 5.20 9.97 -11.74 1 5 0 58 363.461 4 ↓
Mid Mid (pH 6-8) 5.20 10.87 -62.29 0 5 -1 61 362.453 4 ↓
Mid Mid (pH 6-8) 4.94 11.51 -41.08 2 5 1 59 364.469 3 ↓

Analogs

13127692
13127692
13127424
13127424

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-2-methoxy-6-[4-[(2S)-2-methyl-1-piperidyl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-2-methoxy-6-[4-[(2S)-2-meth…

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) 4.66 9.39 -11.63 1 5 0 58 349.434 3 ↓
Mid Mid (pH 6-8) 4.66 10.3 -61.63 0 5 -1 61 348.426 3 ↓
Mid Mid (pH 6-8) 4.66 9.82 -27.1 2 5 1 60 350.442 3 ↓

Analogs

13127424
13127424

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-2-methoxy-6-[4-[(2R)-2-methyl-1-piperidyl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-2-methoxy-6-[4-[(2R)-2-meth…

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) 4.66 9.38 -11.58 1 5 0 58 349.434 3 ↓
Mid Mid (pH 6-8) 4.66 10.29 -61.67 0 5 -1 61 348.426 3 ↓
Mid Mid (pH 6-8) 4.66 9.63 -27.28 2 5 1 60 350.442 3 ↓

Analogs

522209
522209

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-2-methoxy-6-[4-(1-piperidyl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-2-methoxy-6-[4-(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) 4.33 10.18 -61.25 0 5 -1 61 334.399 3 ↓
Mid Mid (pH 6-8) 4.33 9.26 -11.77 1 5 0 58 335.407 3 ↓
Lo Low (pH 4.5-6) 4.07 11.14 -33.2 3 5 0 61 337.423 2 ↓

Analogs

522209
522209

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-2-methoxy-6-[4-(4-methyl-1-piperidyl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-2-methoxy-6-[4-(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) 4.57 9.85 -11.56 1 5 0 58 349.434 3 ↓
Lo Low (pH 4.5-6) 4.57 10.77 -61.14 0 5 -1 61 348.426 3 ↓
Lo Low (pH 4.5-6) 4.31 11.02 -45.22 2 5 1 59 350.442 2 ↓

Analogs

13127748
13127748
17953151
17953151
554632
554632
2225776
2225776

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-[4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1 (6E)-6-[4-[(3R,5R)-3,5-dimethyl-…

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) 5.05 10.61 -10.95 1 5 0 58 363.461 3 ↓
Lo Low (pH 4.5-6) 4.79 11.65 -43.27 2 5 1 59 364.469 2 ↓

Analogs

17953151
17953151
554632
554632
13127747
13127747

Draw Identity 99% 90% 80% 70%

Popular Name: (6E)-6-[4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1 (6E)-6-[4-[(3S,5S)-3,5-dimethyl-…

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) 5.05 10.61 -10.93 1 5 0 58 363.461 3 ↓
Lo Low (pH 4.5-6) 4.79 11.77 -43.83 2 5 1 59 364.469 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)-4-piperidino-quinazoline 2-(4-nitrophenyl)-4-piperidino-q…

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) 4.75 -0.74 -7.69 0 6 0 74 334.379 3 ↓

Parameters Provided:

ring.id = 1668
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 = 1668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1668&filter.purchasability=annotated

Embed Link to Results