UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-8-propyl-2-(p-tolyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 4-methyl-8-propyl-2-(p-tolyl)-5,…

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 10.7 -10.08 0 4 0 46 295.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 2-(3-fluorophenyl)-4-methyl-8-pr…

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) 2.95 10.08 -9.99 0 4 0 46 299.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(cyclopropylmethyl)-4-methyl-2-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 8-(cyclopropylmethyl)-4-methyl-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) 2.80 10.87 -10.08 0 4 0 46 293.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 2-(4-chlorophenyl)-4-methyl-8-pr…

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) 3.49 10.52 -8.97 0 4 0 46 315.804 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(4-fluorophenyl)methyl]-4-methyl-2-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 8-[(4-fluorophenyl)methyl]-4-met…

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) 3.49 12.36 -9.25 0 4 0 46 347.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-amino-2-morpholino-5-(4-oxochromen-3-yl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (5R)-4-amino-2-morpholino-5-(4-o…

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) 1.38 6.71 -11.8 3 9 0 124 393.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-amino-2-morpholino-5-(4-oxochromen-3-yl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (5S)-4-amino-2-morpholino-5-(4-o…

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) 1.38 7.23 -16.95 3 9 0 124 393.403 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-amino-2-morpholino-5-pyrazolo[1,5-a]pyrimidin-3-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-on (5S)-4-amino-2-morpholino-5-pyra…

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) 0.13 5.9 -15.99 3 10 0 124 366.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-amino-2-morpholino-5-pyrazolo[1,5-a]pyrimidin-3-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-on (5R)-4-amino-2-morpholino-5-pyra…

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) 0.13 5.63 -12.5 3 10 0 124 366.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-amino-5-(4-dimethylaminophenyl)-2-morpholino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (5S)-4-amino-5-(4-dimethylaminop…

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) 1.67 7.39 -13.07 3 8 0 97 368.441 3 ↓
Lo Low (pH 4.5-6) 1.67 8.15 -22.39 4 8 0 98 369.449 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-amino-5-(4-dimethylaminophenyl)-2-morpholino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (5R)-4-amino-5-(4-dimethylaminop…

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) 1.67 7.48 -8.39 3 8 0 97 368.441 3 ↓
Lo Low (pH 4.5-6) 1.67 8.22 -19.23 4 8 0 98 369.449 3 ↓

Parameters Provided:

ring.id = 367668
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 = 367668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=367668&filter.purchasability=annotated

Embed Link to Results