UCSF
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Analogs

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Popular Name: (6-chloropyridazin-3-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (6-chloropyridazin-3-yl)-[4-[(1R…

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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) 1.82 4.39 -5.59 0 5 0 49 282.775 3 ↓
Mid Mid (pH 6-8) 1.82 6.06 -36.18 1 5 1 51 283.783 3 ↓

Analogs

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Popular Name: (6-chloropyridazin-3-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (6-chloropyridazin-3-yl)-[4-[(1S…

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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) 1.82 4.28 -5.52 0 5 0 49 282.775 3 ↓
Mid Mid (pH 6-8) 1.82 6.09 -36.45 1 5 1 51 283.783 3 ↓

Analogs

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Popular Name: (6-aminopyridazin-3-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (6-aminopyridazin-3-yl)-[4-[(1R)…

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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) 0.62 2.73 -8.24 2 6 0 75 263.345 3 ↓
Mid Mid (pH 6-8) 0.62 4.44 -36.43 3 6 1 77 264.353 3 ↓

Analogs

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Popular Name: (6-aminopyridazin-3-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (6-aminopyridazin-3-yl)-[4-[(1S)…

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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) 0.62 2.63 -8.16 2 6 0 75 263.345 3 ↓
Mid Mid (pH 6-8) 0.62 4.46 -36.5 3 6 1 77 264.353 3 ↓

Analogs

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Popular Name: [6-(methylamino)pyridazin-3-yl]-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone [6-(methylamino)pyridazin-3-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) 1.00 3.65 -7.89 1 6 0 61 277.372 4 ↓
Mid Mid (pH 6-8) 1.00 5.35 -35.94 2 6 1 63 278.38 4 ↓

Analogs

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Popular Name: [6-(methylamino)pyridazin-3-yl]-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone [6-(methylamino)pyridazin-3-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) 1.00 3.54 -7.84 1 6 0 61 277.372 4 ↓
Mid Mid (pH 6-8) 1.00 5.37 -36.02 2 6 1 63 278.38 4 ↓

Analogs

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Popular Name: [6-(ethylamino)pyridazin-3-yl]-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone [6-(ethylamino)pyridazin-3-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) 1.37 4.46 -7.3 1 6 0 61 291.399 5 ↓
Mid Mid (pH 6-8) 1.37 6.16 -35.49 2 6 1 63 292.407 5 ↓

Analogs

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Popular Name: [6-(ethylamino)pyridazin-3-yl]-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone [6-(ethylamino)pyridazin-3-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) 1.37 4.36 -7.13 1 6 0 61 291.399 5 ↓
Mid Mid (pH 6-8) 1.37 6.18 -35.52 2 6 1 63 292.407 5 ↓

Analogs

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Popular Name: (6-aminopyridazin-3-yl)-(4-isobutylpiperazin-1-yl)methanone (6-aminopyridazin-3-yl)-(4-isobu…

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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 4.78 -38.38 3 6 1 77 264.353 3 ↓
Mid Mid (pH 6-8) 0.53 2.85 -8.25 2 6 0 75 263.345 3 ↓

Analogs

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Popular Name: (4-isobutylpiperazin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone (4-isobutylpiperazin-1-yl)-[6-(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) 0.91 5.71 -38.01 2 6 1 63 278.38 4 ↓
Mid Mid (pH 6-8) 0.91 3.74 -7.93 1 6 0 61 277.372 4 ↓

Analogs

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Popular Name: [6-(ethylamino)pyridazin-3-yl]-(4-isobutylpiperazin-1-yl)methanone [6-(ethylamino)pyridazin-3-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) 1.28 6.49 -37.53 2 6 1 63 292.407 5 ↓
Mid Mid (pH 6-8) 1.28 4.56 -7.22 1 6 0 61 291.399 5 ↓

Analogs

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Popular Name: (6-hydrazinopyridazin-3-yl)-[4-[(1R)-1-methylpropyl]piperazin-1-yl]methanone (6-hydrazinopyridazin-3-yl)-[4-[…

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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) 0.38 2.59 -9.13 3 7 0 87 278.36 4 ↓
Mid Mid (pH 6-8) 0.38 4.3 -36.85 4 7 1 89 279.368 4 ↓

Analogs

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Popular Name: (6-hydrazinopyridazin-3-yl)-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone (6-hydrazinopyridazin-3-yl)-[4-[…

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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) 0.38 2.49 -9.18 3 7 0 87 278.36 4 ↓
Mid Mid (pH 6-8) 0.38 4.32 -36.98 4 7 1 89 279.368 4 ↓

Analogs

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Popular Name: (6-hydrazinopyridazin-3-yl)-(4-isobutylpiperazin-1-yl)methanone (6-hydrazinopyridazin-3-yl)-(4-i…

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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) 0.29 4.66 -38.86 4 7 1 89 279.368 4 ↓
Mid Mid (pH 6-8) 0.29 2.87 -9.33 3 7 0 87 278.36 4 ↓

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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) -0.44 -0.69 -42.11 0 8 -1 99 265.249 2 ↓
Lo Low (pH 4.5-6) -0.90 1.15 -12.29 1 8 0 96 266.257 2 ↓

Analogs

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Popular Name: 4-(6-chloropyridazine-3-carbonyl)-N-ethyl-piperazine-1-carboxamide 4-(6-chloropyridazine-3-carbonyl…

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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) 1.19 3.11 -11.97 1 7 0 78 297.746 2 ↓

Analogs

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Popular Name: 3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one 3-[4-(2,2,2-trifluoroethyl)piper…

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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) 0.64 -0.56 -41.31 0 6 -1 72 289.237 3 ↓
Lo Low (pH 4.5-6) 0.18 3.32 -50.21 2 6 1 70 291.253 3 ↓
Lo Low (pH 4.5-6) 0.64 1.48 -63.41 1 6 0 74 290.245 3 ↓

Parameters Provided:

ring.id = 29340
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 = 29340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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