UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-2,2,2-trifluoro-acetamide N-[3-[(2R)-3-cyclopropyl-4-oxo-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) 2.59 7.81 -14.07 2 5 0 61 375.35 4 ↓
Hi High (pH 8-9.5) 2.77 6.13 -42.89 1 5 -1 68 374.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]-2,2,2-trifluoro-acetamide N-[3-[(2S)-3-cyclopropyl-4-oxo-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) 2.59 8.07 -14.91 2 5 0 61 375.35 4 ↓
Hi High (pH 8-9.5) 2.77 6.4 -41.93 1 5 -1 68 374.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-[3-(2-metho…

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) 2.43 8.01 -12.69 1 5 0 51 338.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-[3-(2-metho…

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) 2.43 8.27 -12.33 1 5 0 51 338.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.25 10.52 -18.03 1 6 0 68 380.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.25 10.69 -17.72 1 6 0 68 380.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-(2-isopropoxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-(2-isopropo…

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) 3.26 9.93 -9.6 1 4 0 42 322.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-(4-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-(4-prop-2-y…

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) 2.73 9.29 -14.12 1 4 0 42 318.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-(4-prop-2-ynoxyphenyl)-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-(4-prop-2-y…

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) 2.73 9.55 -14.02 1 4 0 42 318.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-[3-(3-methoxypropoxy)phenyl]-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-[3-(3-metho…

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) 2.80 8.61 -11.97 1 5 0 51 352.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]propanenitrile (2S)-2-[4-[(2R)-3-cyclopropyl-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) 2.71 9.07 -16.64 1 5 0 65 333.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]propanenitrile (2R)-2-[4-[(2R)-3-cyclopropyl-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) 2.71 9.07 -14.22 1 5 0 65 333.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]propanenitrile (2S)-2-[4-[(2S)-3-cyclopropyl-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) 2.71 9.37 -16.65 1 5 0 65 333.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2S)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]propanenitrile (2R)-2-[4-[(2S)-3-cyclopropyl-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) 2.71 9.42 -14.66 1 5 0 65 333.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-bromo-4-hydroxy-5-methoxy-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (2R)-2-(2-bromo-4-hydroxy-5-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) 2.59 5.58 -9.96 2 5 0 62 389.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-(3-fluoro-4-methyl-phenyl)-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-(3-fluoro-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) 3.05 9.22 -13.21 1 3 0 32 296.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-(3-fluoro-4-methyl-phenyl)-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-(3-fluoro-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) 3.05 9.49 -13.03 1 3 0 32 296.345 2 ↓

Analogs

41863801
41863801

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-bromo-2-hydroxy-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (2R)-2-(5-bromo-2-hydroxy-phenyl…

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) 3.24 7.07 -11.13 2 4 0 53 359.223 2 ↓

Analogs

41863800
41863800

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromo-2-hydroxy-phenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one (2S)-2-(5-bromo-2-hydroxy-phenyl…

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) 3.24 7.14 -12.57 2 4 0 53 359.223 2 ↓

Analogs

41863808
41863808

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (2R)-3-cyclopropyl-2-(2,5-dimeth…

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) 2.55 7.67 -12.56 1 5 0 51 324.38 4 ↓

Analogs

41863807
41863807

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-(2,5-dimeth…

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) 2.55 7.96 -12.5 1 5 0 51 324.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]-N,N-dimethyl-acetamide 2-[2-[(2R)-3-cyclopropyl-4-oxo-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) 1.43 9.83 -14.4 1 6 0 62 365.433 5 ↓

Parameters Provided:

ring.id = 123863
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 = 123863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123863&filter.purchasability=annotated

Embed Link to Results