UCSF
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Analogs

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Popular Name: 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazole-4-carbaldehyde 1-(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) 1.75 7.48 -15.38 0 5 0 52 254.293 3 ↓
Lo Low (pH 4.5-6) 1.75 7.92 -40.56 1 5 1 53 255.301 3 ↓

Analogs

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Popular Name: [1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]methanol [1-(imidazo[1,2-a]pyridin-2-ylme…

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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) 1.29 4.92 -15.55 1 5 0 55 256.309 3 ↓
Lo Low (pH 4.5-6) 1.29 5.36 -33.43 2 5 1 57 257.317 3 ↓

Analogs

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Popular Name: [1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]methanamine [1-(imidazo[1,2-a]pyridin-2-ylme…

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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) 1.14 5.63 -47.18 3 5 1 63 256.333 3 ↓
Hi High (pH 8-9.5) 1.14 5.23 -12.54 2 5 0 61 255.325 3 ↓
Lo Low (pH 4.5-6) 1.14 6.08 -90.15 4 5 2 64 257.341 3 ↓

Analogs

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Popular Name: 1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[1-(imidazo[1,2-a]pyridin-2-yl…

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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) 1.51 7.51 -42.03 2 5 1 52 270.36 4 ↓
Hi High (pH 8-9.5) 1.51 6.05 -12.22 1 5 0 47 269.352 4 ↓
Lo Low (pH 4.5-6) 1.51 7.95 -85.25 3 5 2 53 271.368 4 ↓

Analogs

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Popular Name: N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-(imidazo[1,2-a]pyridin-2-y…

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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) 1.89 8.42 -46.66 2 5 1 52 284.387 5 ↓
Hi High (pH 8-9.5) 1.89 7.05 -15.59 1 5 0 47 283.379 5 ↓
Lo Low (pH 4.5-6) 1.89 8.89 -83.05 3 5 2 53 285.395 5 ↓

Analogs

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Popular Name: 2-[[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine 2-[[4-(chloromethyl)-3,5-dimethy…

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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) 2.53 8.87 -12.99 0 4 0 35 274.755 3 ↓
Lo Low (pH 4.5-6) 2.53 9.32 -32.4 1 4 1 36 275.763 3 ↓

Analogs

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Popular Name: 3-ethylsulfanyl-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide 3-ethylsulfanyl-N-[1-(imidazo[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) 1.86 8.42 -19.27 1 6 0 64 329.429 7 ↓
Lo Low (pH 4.5-6) 1.86 8.86 -37.85 2 6 1 65 330.437 7 ↓

Analogs

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Popular Name: 2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanamine 2-[1-(imidazo[1,2-a]pyridin-2-yl…

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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) 0.94 6.39 -51.06 3 5 1 63 270.36 4 ↓
Lo Low (pH 4.5-6) 0.94 6.84 -89.22 4 5 2 64 271.368 4 ↓

Analogs

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Popular Name: (2R)-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-2-amine (2R)-1-[1-(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) 1.34 7.13 -42.76 3 5 1 63 284.387 4 ↓
Lo Low (pH 4.5-6) 1.34 7.58 -84.3 4 5 2 64 285.395 4 ↓

Analogs

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Popular Name: (2S)-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-2-amine (2S)-1-[1-(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) 1.34 7.13 -42.48 3 5 1 63 284.387 4 ↓
Lo Low (pH 4.5-6) 1.34 7.57 -93.62 4 5 2 64 285.395 4 ↓

Analogs

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Popular Name: 2-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-8-methyl-imidazo[1,2-a]pyridine 2-[(4-bromo-3-nitro-pyrazol-1-yl…

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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) 2.80 9.49 -17.51 0 7 0 81 336.149 3 ↓
Mid Mid (pH 6-8) 2.80 9.93 -42.07 1 7 1 82 337.157 3 ↓

Analogs

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Popular Name: (2R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-2-methyl-pentanamide (2R)-N-[1-(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) 2.87 8.37 -19.97 1 6 0 64 311.389 6 ↓
Lo Low (pH 4.5-6) 2.87 8.81 -38.04 2 6 1 65 312.397 6 ↓

Analogs

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Popular Name: (2S)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-2-methyl-pentanamide (2S)-N-[1-(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) 2.87 8.37 -19.91 1 6 0 64 311.389 6 ↓
Lo Low (pH 4.5-6) 2.87 8.81 -38.06 2 6 1 65 312.397 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 116639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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