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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(2-imidazol-1-ylethyl)pyridazin-3-amine N-(2-imidazol-1-ylethyl)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) -0.13 5.43 -85.13 3 5 2 58 191.238 4 ↓
Mid Mid (pH 6-8) -0.13 4.74 -12.41 1 5 0 56 189.222 4 ↓
Mid Mid (pH 6-8) -0.13 5.43 -82.69 3 5 2 58 191.238 4 ↓

Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyridazin-3-amine N-[(1S)-2-imidazol-1-yl-1-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) 0.20 6.2 -86.07 3 5 2 58 205.265 4 ↓
Mid Mid (pH 6-8) 0.20 5.51 -14.16 1 5 0 56 203.249 4 ↓
Mid Mid (pH 6-8) 0.20 6.03 -40.86 2 5 1 57 204.257 4 ↓

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyridazin-3-amine N-[(1R)-2-imidazol-1-yl-1-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) 0.20 6.14 -86.72 3 5 2 58 205.265 4 ↓
Mid Mid (pH 6-8) 0.20 6.11 -82.86 3 5 2 58 205.265 4 ↓
Mid Mid (pH 6-8) 0.20 5.45 -14.64 1 5 0 56 203.249 4 ↓

Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-6-methyl-pyridazin-3-amine N-[(1S)-2-imidazol-1-yl-1-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) 0.45 6.63 -41.05 2 5 1 57 218.284 4 ↓
Mid Mid (pH 6-8) 0.45 6.12 -14.43 1 5 0 56 217.276 4 ↓
Lo Low (pH 4.5-6) 0.45 6.81 -85.74 3 5 2 58 219.292 4 ↓

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-6-methyl-pyridazin-3-amine N-[(1R)-2-imidazol-1-yl-1-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) 0.45 6.57 -38.39 2 5 1 57 218.284 4 ↓
Mid Mid (pH 6-8) 0.45 6.05 -14.95 1 5 0 56 217.276 4 ↓
Lo Low (pH 4.5-6) 0.45 6.74 -86.34 3 5 2 58 219.292 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) 0.30 6.6 -45.27 2 7 1 83 262.293 6 ↓
Mid Mid (pH 6-8) 0.30 6.09 -15.91 1 7 0 82 261.285 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) 0.30 6.54 -43.11 2 7 1 83 262.293 6 ↓
Mid Mid (pH 6-8) 0.30 6.03 -16.23 1 7 0 82 261.285 6 ↓

Analogs

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Popular Name: 6-chloro-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyridazin-3-amine 6-chloro-N-[(1S)-2-imidazol-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) 1.42 6.44 -42.7 2 5 1 57 238.702 4 ↓
Mid Mid (pH 6-8) 1.42 5.94 -14.04 1 5 0 56 237.694 4 ↓

Analogs

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Popular Name: 6-chloro-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyridazin-3-amine 6-chloro-N-[(1R)-2-imidazol-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) 1.42 6.37 -40.08 2 5 1 57 238.702 4 ↓
Mid Mid (pH 6-8) 1.42 5.86 -14.51 1 5 0 56 237.694 4 ↓

Analogs

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Popular Name: 3-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1S)-2-imidazol-1-yl-1-methy…

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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) 0.90 7.73 -36.42 2 6 1 81 257.321 4 ↓
Mid Mid (pH 6-8) 0.90 7.22 -12.12 1 6 0 79 256.313 4 ↓

Analogs

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Popular Name: 3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[(1R)-2-imidazol-1-yl-1-methy…

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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) 0.90 7.67 -35.23 2 6 1 81 257.321 4 ↓
Mid Mid (pH 6-8) 0.90 7.16 -12.2 1 6 0 79 256.313 4 ↓

Analogs

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Popular Name: 3-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1S)-2-imidazol-1-yl-1-methy…

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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 6.58 -47.11 4 6 1 83 291.404 5 ↓
Mid Mid (pH 6-8) 0.94 6.07 -17.25 3 6 0 82 290.396 5 ↓
Lo Low (pH 4.5-6) 0.94 6.67 -94.54 5 6 2 84 292.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R)-2-imidazol-1-yl-1-methy…

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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 6.52 -37.06 4 6 1 83 291.404 5 ↓
Mid Mid (pH 6-8) 0.94 6 -19.46 3 6 0 82 290.396 5 ↓
Lo Low (pH 4.5-6) 0.94 6.64 -84.01 5 6 2 84 292.412 5 ↓

Analogs

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Popular Name: 6-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]pyridazine-3-carboxylic 6-[[(1S)-2-imidazol-1-yl-1-methy…

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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) 0.04 6.55 -75.3 2 7 0 97 247.258 5 ↓
Mid Mid (pH 6-8) 0.04 6.03 -58.9 1 7 -1 96 246.25 5 ↓
Lo Low (pH 4.5-6) 0.04 6.72 -89.82 3 7 1 98 248.266 5 ↓

Analogs

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Popular Name: 6-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]pyridazine-3-carboxylic 6-[[(1R)-2-imidazol-1-yl-1-methy…

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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) 0.04 6.48 -72.19 2 7 0 97 247.258 5 ↓
Mid Mid (pH 6-8) 0.04 5.97 -59.47 1 7 -1 96 246.25 5 ↓
Lo Low (pH 4.5-6) 0.04 6.65 -90.11 3 7 1 98 248.266 5 ↓

Parameters Provided:

ring.id = 25769
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 = 25769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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