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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.02 4.64 -45.42 2 4 1 46 259.395 5 ↓
Hi High (pH 8-9.5) 1.02 3.53 -6.85 1 4 0 42 258.387 5 ↓

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) 1.02 4.63 -45.54 2 4 1 46 259.395 5 ↓
Hi High (pH 8-9.5) 1.02 3.59 -7.21 1 4 0 42 258.387 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-methyl-1-propyl-N-[(3R)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-N-methyl-1-propy…

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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) 1.16 4.75 -114.8 4 3 2 35 273.49 5 ↓
Hi High (pH 8-9.5) 1.16 4.05 -37.17 3 3 1 34 272.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-methyl-1-propyl-N-[(3S)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-N-methyl-1-propy…

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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) 1.16 5.11 -110.72 4 3 2 35 273.49 5 ↓
Hi High (pH 8-9.5) 1.16 4.75 -37.42 3 3 1 34 272.482 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-1-ethyl-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-1-ethyl-N-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) 0.66 3.93 -113.52 4 3 2 35 259.463 4 ↓
Hi High (pH 8-9.5) 0.66 3.2 -36.7 3 3 1 34 258.455 4 ↓

Analogs

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Popular Name: 4-(aminomethyl)-1-ethyl-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-1-ethyl-N-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) 0.66 4.11 -111.1 4 3 2 35 259.463 4 ↓
Hi High (pH 8-9.5) 0.66 3.32 -37.56 3 3 1 34 258.455 4 ↓

Analogs

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Popular Name: 4-(aminomethyl)-1-isopropyl-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-1-isopropyl-N-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) 0.96 4.45 -113.64 4 3 2 35 273.49 4 ↓
Hi High (pH 8-9.5) 0.96 3.72 -35.27 3 3 1 34 272.482 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-1-isopropyl-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-1-isopropyl-N-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) 0.96 4.64 -111.24 4 3 2 35 273.49 4 ↓
Hi High (pH 8-9.5) 0.96 3.85 -36.08 3 3 1 34 272.482 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N,1-dimethyl-N-[(3R)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-N,1-dimethyl-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) 0.28 3.57 -109.3 4 3 2 35 245.436 3 ↓
Hi High (pH 8-9.5) 0.28 3.23 -37.45 3 3 1 34 244.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N,1-dimethyl-N-[(3S)-tetrahydrothiophen-3-yl]piperidin-4-amine 4-(aminomethyl)-N,1-dimethyl-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) 0.28 3.45 -110.75 4 3 2 35 245.436 3 ↓
Hi High (pH 8-9.5) 0.28 2.66 -38.76 3 3 1 34 244.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(3R)-tetrahydrothiophen-3-yl]piperidin-4-amine 1-methyl-N-[(3R)-tetrahydrothiop…

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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) 1.16 4.92 -35.93 2 2 1 16 201.359 2 ↓
Lo Low (pH 4.5-6) 1.16 6.03 -107.88 3 2 2 21 202.367 2 ↓
Lo Low (pH 4.5-6) 1.16 3.65 -40.95 2 2 1 20 201.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(3S)-tetrahydrothiophen-3-yl]piperidin-4-amine 1-methyl-N-[(3S)-tetrahydrothiop…

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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) 1.16 4.99 -36.68 2 2 1 16 201.359 2 ↓
Lo Low (pH 4.5-6) 1.16 6.02 -107.62 3 2 2 21 202.367 2 ↓
Lo Low (pH 4.5-6) 1.16 3.64 -41.68 2 2 1 20 201.359 2 ↓

Parameters Provided:

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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 = 415799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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