UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2S)-2-(1-piperidyl)propyl]pyridazin-3-amine N-[(2S)-2-(1-piperidyl)propyl]py…

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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) 1.46 6.11 -91.35 3 4 2 43 222.336 4 ↓
Hi High (pH 8-9.5) 1.46 3.87 -7.35 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 1.46 6.1 -85.9 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-piperidyl)propyl]pyridazin-3-amine N-[(2R)-2-(1-piperidyl)propyl]py…

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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) 1.46 6.09 -91.31 3 4 2 43 222.336 4 ↓
Hi High (pH 8-9.5) 1.46 3.84 -7.24 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 1.46 6.08 -85.87 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: N-[2-(4-methyl-1-piperidyl)ethyl]pyridazin-3-amine N-[2-(4-methyl-1-piperidyl)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) 1.37 6.12 -94.55 3 4 2 43 222.336 4 ↓
Mid Mid (pH 6-8) 1.37 6.11 -90.36 3 4 2 43 222.336 4 ↓
Mid Mid (pH 6-8) 1.37 5.95 -45.42 2 4 1 42 221.328 4 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]pyridazin-3-amine N-[(1S)-1-methyl-2-(1-piperidyl)…

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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) 1.46 6.51 -92.48 3 4 2 43 222.336 4 ↓
Hi High (pH 8-9.5) 1.46 4.09 -7.46 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 1.46 6.49 -87.69 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]pyridazin-3-amine N-[(1R)-1-methyl-2-(1-piperidyl)…

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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) 1.46 6.46 -92.39 3 4 2 43 222.336 4 ↓
Hi High (pH 8-9.5) 1.46 4.09 -7.46 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 1.46 6.44 -87.64 3 4 2 43 222.336 4 ↓

Analogs

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Popular Name: N-[2-(1-piperidyl)ethyl]pyridazin-3-amine N-[2-(1-piperidyl)ethyl]pyridazi…

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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) 1.13 5.51 -92.89 3 4 2 43 208.309 4 ↓
Hi High (pH 8-9.5) 1.13 3.12 -7.07 1 4 0 41 206.293 4 ↓
Mid Mid (pH 6-8) 1.13 5.5 -88.85 3 4 2 43 208.309 4 ↓

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) 1.47 6.52 -50.84 2 6 1 69 279.364 6 ↓

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) 1.23 5.91 -49.75 2 6 1 69 265.337 6 ↓
Hi High (pH 8-9.5) 1.23 3.7 -8.07 1 6 0 67 264.329 6 ↓

Analogs

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Popular Name: 6-chloro-N-[2-(1-piperidyl)ethyl]pyridazin-3-amine 6-chloro-N-[2-(1-piperidyl)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) 2.34 5.74 -46.91 2 4 1 42 241.746 4 ↓
Hi High (pH 8-9.5) 2.34 3.52 -6.46 1 4 0 41 240.738 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[2-(1-piperidyl)ethylamino]pyridazine-4-carbonitrile 5,6-dimethyl-3-[2-(1-piperidyl)e…

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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 6.93 -37.76 2 5 1 66 260.365 4 ↓
Hi High (pH 8-9.5) 1.82 4.73 -6.32 1 5 0 65 259.357 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-[2-(1-piperidyl)ethylamino]pyridazine-4-carbothioamide 5,6-dimethyl-3-[2-(1-piperidyl)e…

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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) 1.87 5.78 -44.16 4 5 1 68 294.448 5 ↓
Hi High (pH 8-9.5) 1.87 3.58 -12.76 3 5 0 67 293.44 5 ↓
Lo Low (pH 4.5-6) 1.87 5.92 -98.92 5 5 2 70 295.456 5 ↓

Analogs

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Popular Name: 6-[2-(1-piperidyl)ethylamino]pyridazine-3-carboxylic 6-[2-(1-piperidyl)ethylamino]pyr…

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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) 0.97 5.85 -79.28 2 6 0 82 250.302 5 ↓
Hi High (pH 8-9.5) 0.97 3.64 -49.93 1 6 -1 81 249.294 5 ↓
Lo Low (pH 4.5-6) 0.97 6.01 -98.34 3 6 1 84 251.31 5 ↓

Parameters Provided:

ring.id = 25711
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 = 25711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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