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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-(1H-imidazol-5-ylmethyl)-2-morpholino-ethanamine N-(1H-imidazol-5-ylmethyl)-2-mor…

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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) -0.40 1.31 -40.64 3 5 1 58 211.289 5 ↓
Hi High (pH 8-9.5) -0.40 -0.06 -8.68 2 5 0 53 210.281 5 ↓
Lo Low (pH 4.5-6) -0.40 2.68 -84.89 4 5 2 56 212.297 5 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-2-methyl-2-morpholino-propan-1-amine N-(1H-imidazol-5-ylmethyl)-2-met…

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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) 0.41 2.73 -38.33 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.41 1.07 -6.74 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.41 3.85 -83.38 4 5 2 56 240.351 5 ↓

Analogs

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Popular Name: (2S)-N-(1H-imidazol-5-ylmethyl)-1-morpholino-propan-2-amine (2S)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.07 2.57 -36.42 3 5 1 58 225.316 5 ↓
Hi High (pH 8-9.5) -0.07 1.47 -7.01 2 5 0 53 224.308 5 ↓
Lo Low (pH 4.5-6) -0.07 3.67 -89.89 4 5 2 56 226.324 5 ↓

Analogs

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Popular Name: (2R)-N-(1H-imidazol-5-ylmethyl)-1-morpholino-propan-2-amine (2R)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.07 2.51 -36.41 3 5 1 58 225.316 5 ↓
Hi High (pH 8-9.5) -0.07 0.89 -6.87 2 5 0 53 224.308 5 ↓
Lo Low (pH 4.5-6) -0.07 3.82 -86.31 4 5 2 56 226.324 5 ↓

Analogs

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Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholino-ethanamine N-[(4-methyl-1H-imidazol-5-yl)me…

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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) -0.18 1.83 -40.48 3 5 1 58 225.316 5 ↓
Hi High (pH 8-9.5) -0.18 0.47 -8.6 2 5 0 53 224.308 5 ↓
Lo Low (pH 4.5-6) -0.18 3.18 -84.22 4 5 2 56 226.324 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(4-methyl-1H-imidazo…

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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) 0.63 3.37 -37.89 3 5 1 58 253.37 5 ↓
Hi High (pH 8-9.5) 0.63 1.65 -8.05 2 5 0 53 252.362 5 ↓
Lo Low (pH 4.5-6) 0.63 4.41 -82.51 4 5 2 56 254.378 5 ↓

Analogs

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Popular Name: (2S)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1-morpholino-propan-2-amine (2S)-N-[(4-methyl-1H-imidazol-5-…

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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) 0.15 3.1 -36.29 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.15 1.47 -8.32 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.15 4.32 -85.76 4 5 2 56 240.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1-morpholino-propan-2-amine (2R)-N-[(4-methyl-1H-imidazol-5-…

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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) 0.15 3.06 -36.09 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.15 1.97 -7.79 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.15 4.14 -87.92 4 5 2 56 240.351 5 ↓

Analogs

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Popular Name: N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-morpholino-ethanamine N-[(2-methyl-1H-imidazol-4-yl)me…

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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) -0.31 1.17 -40.74 3 5 1 58 225.316 5 ↓
Hi High (pH 8-9.5) -0.31 -0.2 -8.73 2 5 0 53 224.308 5 ↓
Lo Low (pH 4.5-6) -0.31 2.5 -81.83 4 5 2 56 226.324 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(2-methyl-1H-imidazo…

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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) 0.50 2.69 -38.24 3 5 1 58 253.37 5 ↓
Hi High (pH 8-9.5) 0.50 0.97 -8.07 2 5 0 53 252.362 5 ↓
Lo Low (pH 4.5-6) 0.50 3.73 -80.27 4 5 2 56 254.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-1-morpholino-propan-2-amine (2S)-N-[(2-methyl-1H-imidazol-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) 0.02 2.41 -36.5 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.02 0.8 -8.33 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.02 3.65 -83.41 4 5 2 56 240.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-1-morpholino-propan-2-amine (2R)-N-[(2-methyl-1H-imidazol-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) 0.02 2.37 -36.39 3 5 1 58 239.343 5 ↓
Hi High (pH 8-9.5) 0.02 1.31 -7.77 2 5 0 53 238.335 5 ↓
Lo Low (pH 4.5-6) 0.02 3.47 -86.01 4 5 2 56 240.351 5 ↓

Parameters Provided:

ring.id = 152519
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 = 152519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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