UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34936865
34936865
34936866
34936866
34936867
34936867
34936868
34936868

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholino-propan-1-one (2S)-2-[[(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) 2.24 5.42 -39.02 2 4 1 46 269.409 4 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-morpholino-propan-1-one (2S)-2-[[(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) 2.24 5.37 -38.31 2 4 1 46 269.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholino-propan-1-one (2R)-2-[[(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) 2.24 5.51 -39.36 2 4 1 46 269.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-morpholino-propan-1-one (2R)-2-[[(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) 2.24 5.53 -38.79 2 4 1 46 269.409 4 ↓

Analogs

42579679
42579679
42579682
42579682
42579685
42579685

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholino-ethanone 2-[[(1S)-1-cyclohexylethyl]amino…

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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) 1.91 5.2 -42.61 2 4 1 46 255.382 4 ↓
Hi High (pH 8-9.5) 1.91 4 -7.51 1 4 0 42 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-1-morpholino-ethanone 2-[[(1R)-1-cyclohexylethyl]amino…

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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) 1.91 5.2 -42.61 2 4 1 46 255.382 4 ↓
Hi High (pH 8-9.5) 1.91 4.22 -7.47 1 4 0 42 254.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-morpholino-propan-1-one (2S)-2-[[(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) 2.78 5.96 -38.48 2 4 1 46 283.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-morpholino-propan-1-one (2S)-2-[[(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) 2.78 6.14 -37.74 2 4 1 46 283.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-morpholino-propan-1-one (2R)-2-[[(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) 2.78 6.19 -37.68 2 4 1 46 283.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-morpholino-propan-1-one (2R)-2-[[(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) 2.78 6.25 -38.06 2 4 1 46 283.436 5 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylpropyl]amino]-1-morpholino-ethanone 2-[[(1S)-1-cyclohexylpropyl]amin…

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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) 2.45 5.89 -42.04 2 4 1 46 269.409 5 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylpropyl]amino]-1-morpholino-ethanone 2-[[(1R)-1-cyclohexylpropyl]amin…

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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) 2.45 5.85 -42.23 2 4 1 46 269.409 5 ↓

Analogs

42862062
42862062
42862064
42862064
42862067
42862067
42862070
42862070
42863191
42863191

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Popular Name: (2S)-2-(cyclohexylmethylamino)-1-morpholino-propan-1-one (2S)-2-(cyclohexylmethylamino)-1…

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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) 1.91 5.11 -41.8 2 4 1 46 255.382 4 ↓

Analogs

42862062
42862062
42862064
42862064
42862067
42862067
42862070
42862070

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Popular Name: (2R)-2-(cyclohexylmethylamino)-1-morpholino-propan-1-one (2R)-2-(cyclohexylmethylamino)-1…

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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) 1.91 5.14 -42.06 2 4 1 46 255.382 4 ↓

Analogs

42860856
42860856
42860862
42860862
42860865
42860865
42863191
42863191
42863192
42863192

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Popular Name: 2-(cyclohexylmethylamino)-1-morpholino-ethanone 2-(cyclohexylmethylamino)-1-morp…

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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) 1.23 4.82 -45.72 2 4 1 46 241.355 4 ↓
Hi High (pH 8-9.5) 1.23 3.46 -7.77 1 4 0 42 240.347 4 ↓

Parameters Provided:

ring.id = 201340
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 = 201340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=201340&filter.purchasability=annotated

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