UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.32 9.69 -24.63 1 7 0 86 324.34 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidine 2-(3,4-dimethoxyphenyl)imidazo[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) 1.70 1.58 -19.95 0 5 0 49 255.277 3 ↓
Mid Mid (pH 6-8) 1.70 1.85 -36.03 1 5 1 50 256.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidine 2-(2,4-dichlorophenyl)imidazo[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) 3.33 1.41 -16.76 0 3 0 30 264.115 1 ↓
Mid Mid (pH 6-8) 3.33 1.57 -32.62 1 3 1 31 265.123 1 ↓

Analogs

34346458
34346458
4237875
4237875

Draw Identity 99% 90% 80% 70%

Popular Name: imidazo[1,2-a]pyrimidine-3-carboxaldehyde, 2-[4-(1-methylethyl)phenyl]- imidazo[1,2-a]pyrimidine-3-carbo…

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) 3.59 2 -18.69 0 4 0 47 265.316 3 ↓
Mid Mid (pH 6-8) 3.59 2.2 -33.04 1 4 1 49 266.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxyphenyl)-imidazo[1,2-a]pyrimidine-3-carboxaldehyde 2-(2,5-dimethoxyphenyl)-imidazo[…

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) 2.12 1.3 -17.1 0 6 0 66 283.287 4 ↓
Mid Mid (pH 6-8) 2.12 1.52 -27.84 1 6 1 67 284.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidine 2-(2,5-dimethoxyphenyl)imidazo[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) 2.09 1.65 -18.7 0 5 0 49 255.277 3 ↓
Mid Mid (pH 6-8) 2.09 1.98 -28.76 1 5 1 50 256.285 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-imidazo[1,2-a]pyrimidin-2-yl-N,N-dimethyl-benzenesulfonamide 3-imidazo[1,2-a]pyrimidin-2-yl-N…

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) 1.34 7.18 -25.11 0 6 0 68 302.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide N,N-diethyl-3-imidazo[1,2-a]pyri…

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) 2.09 8.91 -24.77 0 6 0 68 330.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-5-(1-methylhydrazino)-2-phenylimidazo[1,2-a]pyrimidine 7-methyl-5-(1-methylhydrazino)-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) 2.10 -2.94 -12.93 2 5 0 59 253.309 2 ↓
Mid Mid (pH 6-8) 2.10 -2.68 -23.14 3 5 1 60 254.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-nitrophenyl)imidazo[1,2-a]pyrimidine 2-(3-nitrophenyl)imidazo[1,2-a]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) 1.99 9.87 -24.57 0 6 0 76 240.222 2 ↓
Hi High (pH 8-9.5) 2.68 9.21 -47.57 2 5 1 55 356.49 4 ↓
Mid Mid (pH 6-8) 1.99 10.33 -41.91 1 6 1 77 241.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,4E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)hexa-2,4-dienamide (2E,4E)-N-(4-imidazo[1,2-a]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) 2.64 10.95 -24.59 1 5 0 59 304.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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) 4.18 8.92 -25.36 2 8 0 98 381.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide 4-ethoxy-N-(4-imidazo[1,2-a]pyri…

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) 2.13 9.71 -27.7 1 6 0 69 324.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfonyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide 2-ethylsulfonyl-N-(4-imidazo[1,2…

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) 1.00 6.82 -42.13 1 7 0 93 344.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxo-ethyl]propanamide N-[2-(4-imidazo[1,2-a]pyrimidin-…

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) 1.58 7.41 -25.35 2 7 0 88 323.356 5 ↓

Parameters Provided:

ring.id = 30440
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 = 30440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30440&filter.purchasability=annotated

Embed Link to Results