UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]benzamide 3-[(1,3-dimethyl-2,4-dioxo-pyrim…

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) -0.56 2.01 -22.61 3 7 0 99 288.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]-6-fluoro-benzonitrile 2-[(1,3-dimethyl-2,4-dioxo-pyrim…

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) 0.46 5.74 -19.88 1 6 0 80 288.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]benzonitrile 2-chloro-5-[(1,3-dimethyl-2,4-di…

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) 1.00 6.1 -17.74 1 6 0 80 304.737 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(2-propylanilino)methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[(2-propylanilino…

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) 1.90 7.6 -13.35 1 5 0 56 287.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chloro-3-fluoro-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(4-chloro-3-fluoro-anilino)me…

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) 1.41 5.87 -15.45 1 5 0 56 297.717 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]phenyl]acetonitrile 2-[4-[(1,3-dimethyl-2,4-dioxo-py…

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) 0.61 6.48 -17.84 1 6 0 80 284.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]benzonitrile 3-bromo-4-[(1,3-dimethyl-2,4-dio…

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) 1.13 6.42 -17.24 1 6 0 80 349.188 3 ↓

Analogs

32912961
32912961

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-bromo-2-methyl-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(5-bromo-2-methyl-anilino)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) 1.83 6.68 -13.68 1 5 0 56 338.205 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chloro-4-iodo-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(2-chloro-4-iodo-anilino)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) 2.33 6.98 -13.65 1 5 0 56 405.623 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-fluoro-4-hydroxy-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(3-fluoro-4-hydroxy-anilino)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) 0.51 2.5 -17.13 2 6 0 76 279.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-fluoro-4-methoxy-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(3-fluoro-4-methoxy-anilino)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) 0.79 4.65 -17.33 1 6 0 65 293.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]benzoic 4-[(1,3-dimethyl-2,4-dioxo-pyrim…

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) 0.55 5.86 -62.21 1 7 -1 96 288.283 4 ↓
Lo Low (pH 4.5-6) 0.55 3.88 -18.02 2 7 0 93 289.291 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)methylamino]benzoic 2-[(1,3-dimethyl-2,4-dioxo-pyrim…

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) 0.69 6.12 -58.97 1 7 -1 96 288.283 4 ↓
Lo Low (pH 4.5-6) 0.69 4.13 -17.03 2 7 0 93 289.291 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methoxy-3-methyl-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(4-methoxy-3-methyl-anilino)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) 1.07 5.31 -15.2 1 6 0 65 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[(1S)-1-hydroxyethyl]anilino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[2-[(1S)-1-hydroxyethyl]anili…

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) 0.16 3.61 -16.08 2 6 0 76 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[(1R)-1-hydroxyethyl]anilino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[2-[(1R)-1-hydroxyethyl]anili…

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) 0.16 3.61 -15.36 2 6 0 76 289.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-bromo-2-methoxy-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(5-bromo-2-methoxy-anilino)me…

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) 1.44 5.33 -14.09 1 6 0 65 354.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluoro-2-methoxy-anilino)methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[(4-fluoro-2-methoxy-anilino)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) 0.79 4.78 -15.19 1 6 0 65 293.298 4 ↓

Parameters Provided:

ring.id = 24350
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 = 24350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24350&filter.purchasability=annotated

Embed Link to Results