UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[cyclopropylmethyl(ethyl)amino]imidazo[2,1-b]thiazole-5-carbaldehyde 6-[cyclopropylmethyl(ethyl)amino…

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) 2.54 8.71 -10.07 0 4 0 38 249.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[cyclopropylmethyl(ethyl)amino]imidazo[2,1-b]thiazole-5-carboxylic 6-[cyclopropylmethyl(ethyl)amino…

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) 2.32 7.88 -32.74 1 5 0 62 265.338 5 ↓
Mid Mid (pH 6-8) 2.32 8.37 -55.26 0 5 -1 61 264.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[cyclopropylmethyl(ethyl)amino]imidazo[2,1-b]thiazol-5-yl]methanol [6-[cyclopropylmethyl(ethyl)amin…

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) 2.08 6.33 -11.57 1 4 0 41 251.355 5 ↓
Mid Mid (pH 6-8) 2.08 6.02 -30.96 2 4 1 42 252.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-(chloromethyl)-N-(cyclopropylm…

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) 3.32 9.99 -8.54 0 3 0 21 269.801 5 ↓
Mid Mid (pH 6-8) 3.32 9.97 -30.23 1 3 1 22 270.809 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.68 9.46 -107.97 3 4 2 38 280.441 7 ↓
Hi High (pH 8-9.5) 2.68 8.33 -8.09 1 4 0 33 278.425 7 ↓
Mid Mid (pH 6-8) 2.68 9.7 -47.08 2 4 1 37 279.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 3.19 10.21 -109.99 3 4 2 38 294.468 8 ↓
Hi High (pH 8-9.5) 3.19 9.09 -7.93 1 4 0 33 292.452 8 ↓
Mid Mid (pH 6-8) 3.19 10.45 -47.79 2 4 1 37 293.46 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-(aminomethyl)-N-(cyclopropylme…

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) 1.93 6.73 -115.22 4 4 2 49 252.387 5 ↓
Hi High (pH 8-9.5) 1.93 6.7 -9.31 2 4 0 47 250.371 5 ↓
Mid Mid (pH 6-8) 1.93 6.9 -50.69 3 4 1 48 251.379 5 ↓

Analogs

42589003
42589003

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-[(tert-butylamino)methyl]-N-(c…

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 10.4 -103.35 3 4 2 38 308.495 7 ↓
Hi High (pH 8-9.5) 3.49 9.66 -8.32 1 4 0 33 306.479 7 ↓
Mid Mid (pH 6-8) 3.49 10.45 -38.82 2 4 1 37 307.487 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-(methylaminomethyl)imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.31 8.6 -107.92 3 4 2 38 266.414 6 ↓
Hi High (pH 8-9.5) 2.31 7.9 -8.62 1 4 0 33 264.398 6 ↓
Mid Mid (pH 6-8) 2.31 8.85 -44.82 2 4 1 37 265.406 6 ↓

Analogs

42589003
42589003

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-[(isopropylamino)methyl]imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.98 9.99 -105.2 3 4 2 38 294.468 7 ↓
Hi High (pH 8-9.5) 2.98 9.5 -8.11 1 4 0 33 292.452 7 ↓
Mid Mid (pH 6-8) 2.98 10.21 -40.96 2 4 1 37 293.46 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-[(isobutylamino)methyl]imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 3.43 10.9 -110.43 3 4 2 38 308.495 8 ↓
Hi High (pH 8-9.5) 3.43 10.41 -8.02 1 4 0 33 306.479 8 ↓
Mid Mid (pH 6-8) 3.43 11.14 -43.28 2 4 1 37 307.487 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-ethyl-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) 2.29 8.59 -106.64 3 5 2 48 310.467 9 ↓
Hi High (pH 8-9.5) 2.29 7.9 -9.94 1 5 0 42 308.451 9 ↓
Mid Mid (pH 6-8) 2.29 8.82 -43.41 2 5 1 46 309.459 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[6-[cyclopropylmethyl(ethyl)amino]imidazo[2,1-b]thiazol-5-yl]prop-2-enoic (E)-3-[6-[cyclopropylmethyl(ethy…

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) 2.54 8.94 -52.51 1 5 0 62 291.376 6 ↓
Mid Mid (pH 6-8) 2.54 9.18 -55.59 0 5 -1 61 290.368 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-[(2R)-2-aminopropyl]-N-(cyclop…

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 8.18 -48.65 3 4 1 48 279.433 6 ↓
Mid Mid (pH 6-8) 2.13 8.27 -103.05 4 4 2 49 280.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-aminopropyl]-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-[(2S)-2-aminopropyl]-N-(cyclop…

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 8.3 -50.42 3 4 1 48 279.433 6 ↓
Mid Mid (pH 6-8) 2.13 8.39 -108.01 4 4 2 49 280.441 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-aminobutyl]-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-[(2S)-2-aminobutyl]-N-(cyclopr…

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) 2.67 9.03 -47.63 3 4 1 48 293.46 7 ↓
Mid Mid (pH 6-8) 2.67 9.42 -109.95 4 4 2 49 294.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-aminobutyl]-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-[(2R)-2-aminobutyl]-N-(cyclopr…

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) 2.67 9.17 -50.23 3 4 1 48 293.46 7 ↓
Mid Mid (pH 6-8) 2.67 9.22 -104.09 4 4 2 49 294.468 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-(cyclopropylmethyl)-N-ethyl-imidazo[2,1-b]thiazol-6-amine 5-(2-aminoethyl)-N-(cyclopropylm…

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) 1.73 7.41 -57.8 3 4 1 48 265.406 6 ↓
Mid Mid (pH 6-8) 1.73 7.62 -111.59 4 4 2 49 266.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-5-nitro-imidazo[2,1-b]thiazol-6-amine N-[[(1S,2R)-2-methylcyclopropyl]…

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) 2.58 8.79 -8.8 1 6 0 75 252.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-5-nitro-imidazo[2,1-b]thiazol-6-amine N-[[(1S,2S)-2-methylcyclopropyl]…

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) 2.58 8.86 -8.76 1 6 0 75 252.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-5-nitro-imidazo[2,1-b]thiazol-6-amine N-[[(1R,2R)-2-methylcyclopropyl]…

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) 2.58 8.86 -8.76 1 6 0 75 252.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-5-nitro-imidazo[2,1-b]thiazol-6-amine N-[[(1R,2S)-2-methylcyclopropyl]…

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) 2.58 8.79 -8.79 1 6 0 75 252.299 4 ↓

Analogs

36885750
36885750

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-methyl-5-nitro-imidazo[2,1-b]thiazol-6-amine N-(cyclopropylmethyl)-N-methyl-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) 2.22 10.03 -9.73 0 6 0 66 252.299 4 ↓

Parameters Provided:

ring.id = 325305
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 = 325305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=325305&filter.purchasability=annotated

Embed Link to Results