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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-(cyclohexylmethyl)-3-pyrrolidin-1-yl-propan-1-amine N-(cyclohexylmethyl)-3-pyrrolidi…

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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) 2.74 8.74 -105.99 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.74 6.21 -40.6 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: (2S)-N-(cyclohexylmethyl)-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2S)-N-(cyclohexylmethyl)-2-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) 3.21 9.53 -101.65 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.21 7.35 -38.76 2 2 1 20 239.427 6 ↓

Analogs

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Popular Name: (2R)-N-(cyclohexylmethyl)-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2R)-N-(cyclohexylmethyl)-2-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) 3.21 9.53 -106.92 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.21 7.43 -36.12 2 2 1 20 239.427 6 ↓

Analogs

42578702
42578702
42578705
42578705
42578710
42578710

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S)-1-cyclohexylethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1S)-1-cyclohexylethyl]…

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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) 2.50 5.98 -102.48 4 3 2 41 256.434 6 ↓
Hi High (pH 8-9.5) 2.50 6.52 -39.09 3 3 1 44 255.426 6 ↓

Analogs

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Popular Name: (2S)-1-[[(1R)-1-cyclohexylethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1R)-1-cyclohexylethyl]…

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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) 2.50 6.06 -102.33 4 3 2 41 256.434 6 ↓
Hi High (pH 8-9.5) 2.50 6.6 -39.42 3 3 1 44 255.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-1-cyclohexylethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1S)-1-cyclohexylethyl]…

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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) 2.50 6.25 -103.21 4 3 2 41 256.434 6 ↓
Hi High (pH 8-9.5) 2.50 6.76 -38.74 3 3 1 44 255.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1R)-1-cyclohexylethyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1R)-1-cyclohexylethyl]…

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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) 2.50 6.33 -102.67 4 3 2 41 256.434 6 ↓
Hi High (pH 8-9.5) 2.50 6.84 -37.96 3 3 1 44 255.426 6 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (1S)-1-cyclohexyl-N-(3-pyrrolidi…

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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) 3.96 9.88 -102.97 3 2 2 21 254.462 7 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (1R)-1-cyclohexyl-N-(3-pyrrolidi…

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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) 3.96 9.75 -103.03 3 2 2 21 254.462 7 ↓

Analogs

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Popular Name: (2S)-1-[[(1S)-1-cyclohexylpropyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1S)-1-cyclohexylpropyl…

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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) 3.04 6.73 -103.56 4 3 2 41 270.461 7 ↓
Hi High (pH 8-9.5) 3.04 7.26 -38.72 3 3 1 44 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-1-cyclohexylpropyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[[(1R)-1-cyclohexylpropyl…

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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) 3.04 6.61 -103.17 4 3 2 41 270.461 7 ↓
Hi High (pH 8-9.5) 3.04 7.14 -38.01 3 3 1 44 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-1-cyclohexylpropyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1S)-1-cyclohexylpropyl…

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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) 3.04 6.88 -103.78 4 3 2 41 270.461 7 ↓
Hi High (pH 8-9.5) 3.04 7.38 -36.9 3 3 1 44 269.453 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1R)-1-cyclohexylpropyl]amino]-3-pyrrolidin-1-yl-propan-2-ol (2R)-1-[[(1R)-1-cyclohexylpropyl…

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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) 3.04 6.93 -103.75 4 3 2 41 270.461 7 ↓
Hi High (pH 8-9.5) 3.04 7.45 -37.18 3 3 1 44 269.453 7 ↓

Analogs

42611037
42611037
42611038
42611038
42611040
42611040
42611042
42611042

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1S)-1-cyclohexylethyl]-3-pyr…

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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) 3.42 9.12 -102.41 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.42 6.67 -37.19 2 2 1 20 239.427 6 ↓

Analogs

42611037
42611037
42611038
42611038
42611040
42611040
42611042
42611042

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1R)-1-cyclohexylethyl]-3-pyr…

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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) 3.42 9.08 -102.49 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.42 6.63 -37.25 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylcyclohexyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(4-ethylcyclohexyl)methyl]-3-…

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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) 3.20 9.82 -104.63 3 2 2 21 254.462 7 ↓
Mid Mid (pH 6-8) 3.20 7.37 -39.59 2 2 1 20 253.454 7 ↓

Parameters Provided:

ring.id = 25620
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 = 25620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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