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

22042071
22042071

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD13561735 MFCD13561735

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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) 2.93 7.6 -109.7 3 2 2 21 212.381 3 ↓
Mid Mid (pH 6-8) 2.93 6.31 -32.78 2 2 1 16 211.373 3 ↓

Analogs

22042071
22042071

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD13561735 MFCD13561735

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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) 2.93 7.91 -116.2 3 2 2 21 212.381 3 ↓
Mid Mid (pH 6-8) 2.93 6.73 -30.05 2 2 1 16 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R)-1-methyl-2-piperidyl]methylamino]cyclohexanecarbonitrile (1S,2R)-2-[[(2R)-1-methyl-2-pipe…

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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) 2.58 7.13 -40.8 2 3 1 40 236.383 3 ↓
Hi High (pH 8-9.5) 2.58 5.12 -6.9 1 3 0 39 235.375 3 ↓
Mid Mid (pH 6-8) 2.58 7.65 -119.66 3 3 2 45 237.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S)-1-methyl-2-piperidyl]methylamino]cyclohexanecarbonitrile (1S,2R)-2-[[(2S)-1-methyl-2-pipe…

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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) 2.58 7.07 -34.1 2 3 1 40 236.383 3 ↓
Hi High (pH 8-9.5) 2.58 4.45 -7.08 1 3 0 39 235.375 3 ↓
Mid Mid (pH 6-8) 2.58 7.66 -121.48 3 3 2 45 237.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-6-methyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.01 6.65 -117.62 4 2 2 33 212.381 3 ↓
Hi High (pH 8-9.5) 3.01 5.58 -29.92 3 2 1 29 211.373 3 ↓
Hi High (pH 8-9.5) 3.01 5.44 -36.03 3 2 1 29 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-6-methyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.01 6.34 -117.73 4 2 2 33 212.381 3 ↓
Hi High (pH 8-9.5) 3.01 5.16 -35.95 3 2 1 29 211.373 3 ↓
Hi High (pH 8-9.5) 3.01 5.28 -30.42 3 2 1 29 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-6-methyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.01 6.35 -117.71 4 2 2 33 212.381 3 ↓
Hi High (pH 8-9.5) 3.01 5.15 -32.56 3 2 1 29 211.373 3 ↓
Hi High (pH 8-9.5) 3.01 5.22 -34.01 3 2 1 29 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-6-methyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.01 6.65 -117.63 4 2 2 33 212.381 3 ↓
Hi High (pH 8-9.5) 3.01 5.45 -31.7 3 2 1 29 211.373 3 ↓
Hi High (pH 8-9.5) 3.01 5.52 -33.95 3 2 1 29 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-N,6-dimethyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.26 8.51 -110.42 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 3.26 6.58 -29.65 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-N,6-dimethyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.26 7.92 -106.92 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 3.26 6.11 -30.41 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-N,6-dimethyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.26 8.2 -110.39 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 3.26 6.09 -30.14 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperidinemethanamine, N-cyclohexyl-N,6-dimethyl- 2-piperidinemethanamine, N-cyclo…

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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) 3.26 8.21 -107.18 3 2 2 21 226.408 3 ↓
Mid Mid (pH 6-8) 3.26 6.26 -33 2 2 1 20 225.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-[[(2R)-1-methyl-2-piperidyl]methyl]cyclohexanamine (1R,3S)-3-methoxy-N-[[(2R)-1-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) 2.16 6.64 -112.22 3 3 2 30 242.407 4 ↓
Mid Mid (pH 6-8) 2.16 6 -32.73 2 3 1 26 241.399 4 ↓
Mid Mid (pH 6-8) 2.16 5.08 -36.19 2 3 1 29 241.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-[[(2S)-1-methyl-2-piperidyl]methyl]cyclohexanamine (1R,3S)-3-methoxy-N-[[(2S)-1-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) 2.16 6.66 -112.62 3 3 2 30 242.407 4 ↓
Mid Mid (pH 6-8) 2.16 5.94 -30.61 2 3 1 26 241.399 4 ↓
Mid Mid (pH 6-8) 2.16 4.98 -36.32 2 3 1 29 241.399 4 ↓

Parameters Provided:

ring.id = 47082
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 = 47082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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