UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide 4-(imidazo[1,2-a]pyridin-2-ylmet…

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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) 1.42 4.62 -36.17 2 7 1 63 318.401 5 ↓
Hi High (pH 8-9.5) 1.42 4.52 -14.3 1 7 0 62 317.393 5 ↓

Analogs

31933436
31933436
37037839
37037839
37039574
37039574
37039822
37039822
37048953
37048953

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Popular Name: 2-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine 2-[(4-ethylpiperazin-1-yl)methyl…

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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) 1.61 7.49 -77.98 2 4 2 26 246.358 3 ↓
Hi High (pH 8-9.5) 1.61 4.75 -9.39 0 4 0 24 244.342 3 ↓
Mid Mid (pH 6-8) 1.61 7.08 -38.82 1 4 1 25 245.35 3 ↓

Analogs

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Popular Name: 2-[(4-isopentylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine 2-[(4-isopentylpiperazin-1-yl)me…

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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) 2.89 9.74 -79.89 2 4 2 26 288.439 5 ↓
Hi High (pH 8-9.5) 2.89 7.47 -26.39 1 4 1 25 287.431 5 ↓
Hi High (pH 8-9.5) 2.89 6.73 -9.02 0 4 0 24 286.423 5 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 1.30 5.44 -82.54 3 4 2 38 246.358 2 ↓
Hi High (pH 8-9.5) 1.30 3.62 -8.78 1 4 0 33 244.342 2 ↓
Mid Mid (pH 6-8) 1.30 4.96 -38.75 2 4 1 37 245.35 2 ↓

Analogs

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Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 1.30 5.53 -79.71 3 4 2 38 246.358 2 ↓
Hi High (pH 8-9.5) 1.30 4.21 -8.42 1 4 0 33 244.342 2 ↓
Mid Mid (pH 6-8) 1.30 5.37 -40.49 2 4 1 37 245.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 1.30 5.82 -79.89 3 4 2 38 246.358 2 ↓
Hi High (pH 8-9.5) 1.30 3.91 -9.06 1 4 0 33 244.342 2 ↓
Mid Mid (pH 6-8) 1.30 5.08 -43.17 2 4 1 37 245.35 2 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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 6.08 -82.06 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.35 -8.12 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 5.66 -38.16 2 4 1 37 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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 6.17 -79.3 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.87 -7.82 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 6.03 -40.08 2 4 1 37 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-6-methyl-imidazo[1,2-a]pyridine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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 6.46 -79.57 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.56 -8.4 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 5.73 -42.59 2 4 1 37 259.377 2 ↓

Analogs

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Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-imidazo[1,2-a]pyridine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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 6.05 -81.97 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.27 -8.42 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 5.61 -38.55 2 4 1 37 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-imidazo[1,2-a]pyridine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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 6.11 -79.38 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.81 -8.26 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 5.98 -40.39 2 4 1 37 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-8-methyl-imidazo[1,2-a]pyridine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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 6.41 -79.38 3 4 2 38 260.385 2 ↓
Hi High (pH 8-9.5) 1.70 4.5 -8.9 1 4 0 33 258.369 2 ↓
Mid Mid (pH 6-8) 1.70 5.67 -42.87 2 4 1 37 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-nitro-imidazo[1,2-a]pyridine 2-[[(2S,6R)-2,6-dimethylpiperazi…

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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 6.52 -41.83 2 7 1 83 290.347 3 ↓
Hi High (pH 8-9.5) 1.38 5.23 -9.53 1 7 0 78 289.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-nitro-imidazo[1,2-a]pyridine 2-[[(2S,6S)-2,6-dimethylpiperazi…

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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 6.51 -43.9 2 7 1 83 290.347 3 ↓
Hi High (pH 8-9.5) 1.38 5.36 -9.99 1 7 0 78 289.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-nitro-imidazo[1,2-a]pyridine 2-[[(2R,6R)-2,6-dimethylpiperazi…

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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 6.92 -43.71 2 7 1 83 290.347 3 ↓
Hi High (pH 8-9.5) 1.38 5.75 -9.68 1 7 0 78 289.339 3 ↓

Analogs

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Popular Name: 6-chloro-2-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine 6-chloro-2-[(4-ethylpiperazin-1-…

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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) 2.24 7.76 -34.08 1 4 1 25 279.795 3 ↓
Hi High (pH 8-9.5) 2.24 5.5 -6.36 0 4 0 24 278.787 3 ↓
Mid Mid (pH 6-8) 2.24 7.92 -79.81 2 4 2 26 280.803 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.63 5.95 -35.25 2 8 1 80 388.492 7 ↓
Hi High (pH 8-9.5) 3.63 6.37 -14.66 1 8 0 79 387.484 7 ↓

Analogs

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Popular Name: 6-fluoro-2-[(4-isopropylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine 6-fluoro-2-[(4-isopropylpiperazi…

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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) 2.02 7.83 -33.24 1 4 1 25 277.367 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.52 6.8 -22.74 0 8 0 70 345.403 4 ↓
Mid Mid (pH 6-8) 0.52 6.92 -41.03 1 8 1 72 346.411 4 ↓
Lo Low (pH 4.5-6) 0.52 9.02 -57.42 1 8 1 72 346.411 4 ↓

Analogs

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Popular Name: (2S)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-2-ol (2S)-1-[4-(imidazo[1,2-a]pyridin…

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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 4.82 -27.65 2 5 1 45 317.457 5 ↓
Hi High (pH 8-9.5) 2.29 4.09 -10.21 1 5 0 44 316.449 5 ↓
Mid Mid (pH 6-8) 2.29 7.15 -81.38 3 5 2 46 318.465 5 ↓

Analogs

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Popular Name: (2R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-2-ol (2R)-1-[4-(imidazo[1,2-a]pyridin…

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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 4.57 -27.51 2 5 1 45 317.457 5 ↓
Hi High (pH 8-9.5) 2.29 4.43 -9.68 1 5 0 44 316.449 5 ↓
Mid Mid (pH 6-8) 2.29 6.88 -81.1 3 5 2 46 318.465 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 5.95 -34.98 2 8 1 80 374.465 6 ↓
Hi High (pH 8-9.5) 1.38 5.2 -14.45 1 8 0 79 373.457 6 ↓

Analogs

44889276
44889276

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Popular Name: (2R)-2-ethyl-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]hexan-1-one (2R)-2-ethyl-1-[4-(imidazo[1,2-a…

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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) 3.75 10.23 -33.82 1 5 1 42 343.495 7 ↓
Hi High (pH 8-9.5) 3.75 9.48 -13.56 0 5 0 41 342.487 7 ↓

Parameters Provided:

ring.id = 1528
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 1528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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