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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: (3S,4S)-N3-(cyclobutylmethyl)-N3-methyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(cyclobutylmethyl)-N3…

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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) 0.35 2.08 -42.65 3 3 1 40 199.318 3 ↓
Hi High (pH 8-9.5) 0.35 1.57 -1.45 2 3 0 38 198.31 3 ↓
Mid Mid (pH 6-8) 0.35 3.56 -118.26 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N3-methyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N3…

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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) 0.35 1.38 -40.82 3 3 1 40 199.318 3 ↓
Hi High (pH 8-9.5) 0.35 1.08 -1.76 2 3 0 38 198.31 3 ↓
Mid Mid (pH 6-8) 0.35 3.42 -119.66 4 3 2 41 200.326 3 ↓

Analogs

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Popular Name: (3R,4R)-N3-(cyclobutylmethyl)-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3R,4R)-N3-(cyclobutylmethyl)-N4…

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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) 1.64 5.44 -33.89 2 3 1 26 227.372 5 ↓
Hi High (pH 8-9.5) 1.64 4.38 -33.35 2 3 1 29 227.372 5 ↓
Hi High (pH 8-9.5) 1.64 3.6 -0.83 1 3 0 24 226.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N4…

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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) 1.64 4.78 -30.48 2 3 1 26 227.372 5 ↓
Hi High (pH 8-9.5) 1.64 2.33 -1.45 1 3 0 24 226.364 5 ↓
Hi High (pH 8-9.5) 1.64 3.92 -34.48 2 3 1 29 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-N3-(cyclobutylmethyl)-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3S,4R)-N3-(cyclobutylmethyl)-N4…

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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) 1.64 4.7 -33.97 2 3 1 26 227.372 5 ↓
Hi High (pH 8-9.5) 1.64 2.74 -1.11 1 3 0 24 226.364 5 ↓
Hi High (pH 8-9.5) 1.64 3.85 -34.3 2 3 1 29 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-N3-(cyclobutylmethyl)-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(cyclobutylmethyl)-N4…

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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) 1.64 5.31 -30.6 2 3 1 26 227.372 5 ↓
Hi High (pH 8-9.5) 1.64 2.88 -1.25 1 3 0 24 226.364 5 ↓
Hi High (pH 8-9.5) 1.64 4.38 -33.33 2 3 1 29 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-N3-(cyclobutylmethyl)-N3,N4-dimethyl-tetrahydropyran-3,4-diamine (3R,4R)-N3-(cyclobutylmethyl)-N3…

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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) 1.26 4.63 -33.52 2 3 1 26 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 3.71 -35.33 2 3 1 29 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 2.84 -1.03 1 3 0 24 212.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N3,N4-dimethyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N3…

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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) 1.26 3.99 -30.46 2 3 1 26 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 3.17 -35.64 2 3 1 29 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 1.53 -1.62 1 3 0 24 212.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-N3-(cyclobutylmethyl)-N3,N4-dimethyl-tetrahydropyran-3,4-diamine (3S,4R)-N3-(cyclobutylmethyl)-N3…

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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) 1.26 3.76 -33.73 2 3 1 26 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 1.8 -1.25 1 3 0 24 212.337 4 ↓
Hi High (pH 8-9.5) 1.26 3.02 -35.64 2 3 1 29 213.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-N3-(cyclobutylmethyl)-N3,N4-dimethyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(cyclobutylmethyl)-N3…

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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) 1.26 4.52 -30.39 2 3 1 26 213.345 4 ↓
Hi High (pH 8-9.5) 1.26 2.08 -1.48 1 3 0 24 212.337 4 ↓
Hi High (pH 8-9.5) 1.26 3.65 -34.92 2 3 1 29 213.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-N3-(cyclobutylmethyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3R,4R)-N3-(cyclobutylmethyl)-N3…

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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) 2.14 6.19 -34.21 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.14 5.14 -33.94 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 2.14 4.36 -0.71 1 3 0 24 240.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N3…

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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) 2.14 5.53 -30.82 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.14 3.09 -1.36 1 3 0 24 240.391 6 ↓
Hi High (pH 8-9.5) 2.14 4.69 -35.16 2 3 1 29 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-N3-(cyclobutylmethyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3S,4R)-N3-(cyclobutylmethyl)-N3…

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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) 2.14 5.45 -34.23 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.14 3.49 -1.03 1 3 0 24 240.391 6 ↓
Hi High (pH 8-9.5) 2.14 4.62 -34.95 2 3 1 29 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-N3-(cyclobutylmethyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(cyclobutylmethyl)-N3…

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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) 2.14 6.07 -30.85 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.14 3.67 -1.17 1 3 0 24 240.391 6 ↓
Hi High (pH 8-9.5) 2.14 5.19 -34.15 2 3 1 29 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-3-[cyclobutylmethyl(methyl)amino]tetrahydropyran-4-ol (3R,4S)-3-[cyclobutylmethyl(meth…

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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) 0.84 3 -32.36 2 3 1 34 200.302 3 ↓
Hi High (pH 8-9.5) 0.84 0.72 -3.45 1 3 0 33 199.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-3-[cyclobutylmethyl(methyl)amino]tetrahydropyran-4-ol (3S,4S)-3-[cyclobutylmethyl(meth…

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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) 0.84 2.75 -32.28 2 3 1 34 200.302 3 ↓
Hi High (pH 8-9.5) 0.84 0.46 -4.01 1 3 0 33 199.294 3 ↓

Parameters Provided:

ring.id = 217348
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 = 217348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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