UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42857186
42857186
42857188
42857188
42857191
42857191
42857194
42857194

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Popular Name: (1R)-N-(cyclohexylmethyl)-1-(3-pyridyl)ethanamine (1R)-N-(cyclohexylmethyl)-1-(3-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) 3.11 7.52 -42.61 2 2 1 29 219.352 4 ↓
Lo Low (pH 4.5-6) 3.11 7.97 -107.78 3 2 2 31 220.36 4 ↓

Analogs

42857186
42857186
42857188
42857188
42857191
42857191
42857194
42857194

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Popular Name: (1S)-N-(cyclohexylmethyl)-1-(3-pyridyl)ethanamine (1S)-N-(cyclohexylmethyl)-1-(3-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) 3.11 7.52 -42.55 2 2 1 29 219.352 4 ↓
Lo Low (pH 4.5-6) 3.11 7.97 -107.69 3 2 2 31 220.36 4 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(3-pyridylmethyl)propan-1-amine (1S)-1-cyclohexyl-N-(3-pyridylme…

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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) 3.41 7.86 -41.13 2 2 1 29 233.379 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(3-pyridylmethyl)propan-1-amine (1R)-1-cyclohexyl-N-(3-pyridylme…

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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) 3.41 7.73 -40.73 2 2 1 29 233.379 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(3-pyridyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(3-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) 3.97 8.3 -38.88 2 2 1 29 247.406 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1S)-1-(3-pyridyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1S)-1-(3-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) 3.97 8.44 -37.62 2 2 1 29 247.406 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1R)-1-(3-pyridyl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1R)-1-(3-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) 3.97 8.38 -37.14 2 2 1 29 247.406 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1R)-1-(3-pyridyl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1R)-1-(3-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) 3.97 8.1 -39.47 2 2 1 29 247.406 5 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-cyclohexylethyl]-1-(3-pyridyl)ethanamine (1S)-N-[(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) 3.44 7.71 -38.95 2 2 1 29 233.379 4 ↓
Lo Low (pH 4.5-6) 3.44 8.17 -100.15 3 2 2 31 234.387 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-cyclohexylethyl]-1-(3-pyridyl)ethanamine (1R)-N-[(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) 3.44 7.65 -38.83 2 2 1 29 233.379 4 ↓
Lo Low (pH 4.5-6) 3.44 8.14 -100.3 3 2 2 31 234.387 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-cyclohexylethyl]-1-(3-pyridyl)ethanamine (1S)-N-[(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) 3.44 7.61 -38.89 2 2 1 29 233.379 4 ↓
Lo Low (pH 4.5-6) 3.44 8.1 -100.36 3 2 2 31 234.387 4 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-cyclohexylethyl]-1-(3-pyridyl)ethanamine (1R)-N-[(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) 3.44 7.78 -38.5 2 2 1 29 233.379 4 ↓
Lo Low (pH 4.5-6) 3.44 8.26 -99.85 3 2 2 31 234.387 4 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(3-pyridylmethyl)ethanamine (1S)-1-cyclohexyl-N-(3-pyridylme…

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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) 2.88 7.11 -42.2 2 2 1 29 219.352 4 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(3-pyridylmethyl)ethanamine (1R)-1-cyclohexyl-N-(3-pyridylme…

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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) 2.88 7.19 -41.6 2 2 1 29 219.352 4 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(6-methoxy-3-pyridyl)methyl]ethanamine (1S)-1-cyclohexyl-N-[(6-methoxy-…

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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) 3.28 5.59 -44.95 2 3 1 39 249.378 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(6-methoxy-3-pyridyl)methyl]ethanamine (1R)-1-cyclohexyl-N-[(6-methoxy-…

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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) 3.28 5.67 -44.44 2 3 1 39 249.378 5 ↓

Parameters Provided:

ring.id = 25043
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 = 25043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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