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

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-N7-(cyclopropylmethyl)-N7-ethyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-(cyclopropylmethyl)-N…

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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) 0.99 4.89 -116.91 4 4 2 51 256.39 4 ↓
Hi High (pH 8-9.5) 0.99 2.98 -40.66 3 4 1 49 255.382 4 ↓
Hi High (pH 8-9.5) 0.99 2.85 -2.9 2 4 0 48 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-N7-(cyclopropylmethyl)-N7-ethyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-(cyclopropylmethyl)-N…

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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) 0.99 4.79 -117.97 4 4 2 51 256.39 4 ↓
Hi High (pH 8-9.5) 0.99 2.95 -43.31 3 4 1 49 255.382 4 ↓
Hi High (pH 8-9.5) 0.99 2.74 -3.07 2 4 0 48 254.374 4 ↓

Analogs

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Popular Name: (8R,9S)-N9-(cyclopropylmethyl)-N8,N9-diethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9S)-N9-(cyclopropylmethyl)-N…

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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) 2.27 6.45 -31.34 2 4 1 35 283.436 6 ↓
Hi High (pH 8-9.5) 2.27 4.89 -2.04 1 4 0 34 282.428 6 ↓
Hi High (pH 8-9.5) 2.27 5.62 -33.52 2 4 1 38 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-N9-(cyclopropylmethyl)-N8,N9-diethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9S)-N9-(cyclopropylmethyl)-N…

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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) 2.27 6.3 -28.74 2 4 1 35 283.436 6 ↓
Hi High (pH 8-9.5) 2.27 5.01 -2.23 1 4 0 34 282.428 6 ↓
Hi High (pH 8-9.5) 2.27 5.69 -34.44 2 4 1 38 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-N9-(cyclopropylmethyl)-N8,N9-diethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9R)-N9-(cyclopropylmethyl)-N…

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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) 2.27 6.18 -31.76 2 4 1 35 283.436 6 ↓
Hi High (pH 8-9.5) 2.27 4.55 -2.27 1 4 0 34 282.428 6 ↓
Hi High (pH 8-9.5) 2.27 5.65 -34.05 2 4 1 38 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-N9-(cyclopropylmethyl)-N8,N9-diethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N9-(cyclopropylmethyl)-N…

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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) 2.27 6.54 -28.83 2 4 1 35 283.436 6 ↓
Hi High (pH 8-9.5) 2.27 5.37 -2.21 1 4 0 34 282.428 6 ↓
Hi High (pH 8-9.5) 2.27 5.63 -33.3 2 4 1 38 283.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9S)-N9-(cyclopropylmethyl)-N9-ethyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9S)-N9-(cyclopropylmethyl)-N…

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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) 2.77 7.47 -32.73 2 4 1 35 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 5.7 -1.89 1 4 0 34 296.455 7 ↓
Hi High (pH 8-9.5) 2.77 6.43 -33.72 2 4 1 38 297.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S)-N9-(cyclopropylmethyl)-N9-ethyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9S)-N9-(cyclopropylmethyl)-N…

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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) 2.77 7.04 -27.88 2 4 1 35 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 6.44 -35.13 2 4 1 38 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 5.76 -2.27 1 4 0 34 296.455 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R,9R)-N9-(cyclopropylmethyl)-N9-ethyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9R)-N9-(cyclopropylmethyl)-N…

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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) 2.77 6.93 -30.93 2 4 1 35 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 6.41 -35.08 2 4 1 38 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 5.31 -2.15 1 4 0 34 296.455 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R)-N9-(cyclopropylmethyl)-N9-ethyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N9-(cyclopropylmethyl)-N…

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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) 2.77 7.24 -28.97 2 4 1 35 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 4.96 -2.26 1 4 0 34 296.455 7 ↓
Hi High (pH 8-9.5) 2.77 6.43 -33.98 2 4 1 38 297.463 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-N7-(cyclopropylmethyl)-N7-ethyl-N8-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-(cyclopropylmethyl)-N…

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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) 1.90 5.81 -32.08 2 4 1 35 269.409 5 ↓
Hi High (pH 8-9.5) 1.90 4.18 -2.37 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.90 6.68 -110.24 3 4 2 40 270.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-N7-(cyclopropylmethyl)-N7-ethyl-N8-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-(cyclopropylmethyl)-N…

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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) 1.90 5.27 -31.56 2 4 1 35 269.409 5 ↓
Hi High (pH 8-9.5) 1.90 3.63 -2.31 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.90 6.54 -110.98 3 4 2 40 270.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R,8S)-7-[cyclopropylmethyl(ethyl)amino]-1,4-dioxaspiro[4.5]decan-8-ol (7R,8S)-7-[cyclopropylmethyl(eth…

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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) 1.48 4.18 -29.65 2 4 1 43 256.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8S)-7-[cyclopropylmethyl(ethyl)amino]-1,4-dioxaspiro[4.5]decan-8-ol (7S,8S)-7-[cyclopropylmethyl(eth…

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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) 1.48 4.46 -31.21 2 4 1 43 256.366 4 ↓

Parameters Provided:

ring.id = 325083
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 = 325083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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