UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-furyl)-N4-[2-oxo-2-(prop-2-ynylamino)ethyl]imidazo[1,5-a]pyrimidine-4,8-dicarboxamide 2-(2-furyl)-N4-[2-oxo-2-(prop-2-…

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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) -0.53 1.31 -18.47 4 10 0 145 366.337 6 ↓

Analogs

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Popular Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-phenyl-imidazo[5,1-b]pyrimidine-4,8-dicarboxamide N-[4-(4-ethylpiperazin-1-yl)-2-m…

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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) 3.01 9.66 -52.82 4 9 1 110 484.584 6 ↓
Mid Mid (pH 6-8) 3.01 7.29 -17.83 3 9 0 109 483.576 6 ↓

Analogs

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Popular Name: 2-phenyl-4-[4-[2-(p-tolyl)ethyl]piperidine-1-carbonyl]imidazo[1,5-a]pyrimidine-8-carboxamide 2-phenyl-4-[4-[2-(p-tolyl)ethyl]…

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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) 4.53 12.74 -21.57 2 7 0 94 467.573 6 ↓

Analogs

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Popular Name: 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide 4-[4-[2-(4-ethoxyphenyl)ethyl]pi…

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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) 4.52 12.31 -23.46 2 8 0 103 497.599 8 ↓

Analogs

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Popular Name: 2-phenyl-4-(4-thiazol-2-ylpiperazine-1-carbonyl)imidazo[1,5-a]pyrimidine-8-carboxamide 2-phenyl-4-(4-thiazol-2-ylpipera…

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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) 1.45 6.38 -22.98 2 9 0 110 433.497 4 ↓
Lo Low (pH 4.5-6) 1.45 6.76 -54.44 3 9 1 111 434.505 4 ↓

Analogs

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Popular Name: 2-phenyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)imidazo[5,1-b]pyrimidine-4,8-dicarboxamide 2-phenyl-N-(2-pyrrolidin-1-yl-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) 3.30 8.42 -29.23 3 9 0 119 483.557 5 ↓

Analogs

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Popular Name: 3-[3-[2-(1-cyclohexenyl)ethylamino]-3-oxo-propyl]-2,4-dimethyl-imidazo[1,5-a]pyrimidine-8-carboxamid 3-[3-[2-(1-cyclohexenyl)ethylami…

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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) 2.01 6.98 -24.12 3 7 0 102 369.469 7 ↓

Analogs

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Popular Name: 2,4-dimethyl-3-[3-oxo-3-[(4-propylphenyl)amino]propyl]imidazo[1,5-a]pyrimidine-8-carboxamide 2,4-dimethyl-3-[3-oxo-3-[(4-prop…

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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) 2.63 8.13 -25.26 3 7 0 102 379.464 7 ↓

Analogs

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Popular Name: 2,4-dimethyl-3-[3-[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]-3-oxo-propyl]imidazo[1,5-a]pyrimidin 2,4-dimethyl-3-[3-[methyl-[[4-(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) 2.28 9.51 -23.58 2 8 0 97 448.571 7 ↓

Analogs

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Popular Name: 3-[3-(cyclobutylmethylamino)-3-oxo-propyl]-2,4-dimethyl-imidazo[1,5-a]pyrimidine-8-carboxamide 3-[3-(cyclobutylmethylamino)-3-o…

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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) 0.67 5.08 -20.85 3 7 0 102 329.404 6 ↓

Analogs

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Popular Name: 3-(3-fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile 3-(3-fluorobenzyl)-2,4-dimethyli…

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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) 2.86 3.6 -18.28 0 4 0 53 280.306 2 ↓
Mid Mid (pH 6-8) 2.86 3.82 -47.76 1 4 1 55 281.314 2 ↓

Analogs

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Popular Name: N4-[(2S)-2-(diethylamino)propyl]-2-(2-furyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide N4-[(2S)-2-(diethylamino)propyl]…

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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) 0.82 5.27 -52.83 4 9 1 120 385.448 8 ↓
Hi High (pH 8-9.5) 0.82 3.45 -15.69 3 9 0 119 384.44 8 ↓

Analogs

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Popular Name: N4-ethyl-N4-(2-ethylbutyl)-2-(2-furyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide N4-ethyl-N4-(2-ethylbutyl)-2-(2-…

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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) 2.45 7.73 -15.82 2 8 0 107 383.452 8 ↓

Analogs

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Popular Name: 4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-(2-furyl)imidazo[1,5-a]py 4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 1.18 5.32 -14.96 2 9 0 116 395.419 3 ↓

Analogs

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Popular Name: 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-(2-furyl)imidazo[1,5-a]py 4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 1.18 5.54 -15.29 2 9 0 116 395.419 3 ↓

Analogs

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Popular Name: 4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-(2-furyl)imidazo[1,5-a]py 4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 1.18 5.58 -15.38 2 9 0 116 395.419 3 ↓

Analogs

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Popular Name: 4-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-(2-furyl)imidazo[1,5-a]py 4-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 1.18 5.31 -14.93 2 9 0 116 395.419 3 ↓

Parameters Provided:

ring.id = 12449
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 = 12449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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