UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42579666
42579666
42579669
42579669
42579673
42579673

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-1-(1-piperidyl)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) 2.98 7.64 -39.9 2 3 1 37 253.41 4 ↓
Hi High (pH 8-9.5) 2.98 6.43 -6.74 1 3 0 32 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-1-(1-piperidyl)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) 2.98 7.63 -39.92 2 3 1 37 253.41 4 ↓
Hi High (pH 8-9.5) 2.98 6.66 -6.55 1 3 0 32 252.402 4 ↓

Analogs

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-(1-piperidyl)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) 3.84 8.39 -36.14 2 3 1 37 281.464 5 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-(1-piperidyl)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) 3.84 8.58 -35.36 2 3 1 37 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-(1-piperidyl)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) 3.84 8.63 -35.17 2 3 1 37 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-(1-piperidyl)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) 3.84 8.69 -35.59 2 3 1 37 281.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 3.51 8.32 -39.33 2 3 1 37 267.437 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 3.51 8.3 -39.39 2 3 1 37 267.437 5 ↓

Analogs

42862294
42862294
42862297
42862297
42862299
42862299
42862302
42862302

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Popular Name: (2S)-2-(cyclohexylmethylamino)-1-(1-piperidyl)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) 2.98 7.55 -39.42 2 3 1 37 253.41 4 ↓

Analogs

42862294
42862294
42862297
42862297
42862299
42862299
42862302
42862302

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclohexylmethylamino)-1-(1-piperidyl)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) 2.98 7.57 -39.41 2 3 1 37 253.41 4 ↓

Analogs

37818868
37818868
37818880
37818880
37818896
37818896
42863174
42863174
42863177
42863177

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Popular Name: 2-(cyclohexylmethylamino)-1-(1-piperidyl)ethanone 2-(cyclohexylmethylamino)-1-(1-p…

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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) 2.30 7.26 -42.97 2 3 1 37 239.383 4 ↓

Parameters Provided:

ring.id = 201299
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 = 201299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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