UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(2-isopropylimidazol-1-yl)ethanamine N-(cyclopentylmethyl)-2-(2-isopr…

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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) 2.36 8.35 -52.84 2 3 1 34 236.383 6 ↓
Mid Mid (pH 6-8) 2.36 8.82 -100.97 3 3 2 36 237.391 6 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine N-(cyclopentylmethyl)-2-(4,5-dim…

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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) 1.66 8.51 -51.97 2 3 1 34 222.356 5 ↓
Mid Mid (pH 6-8) 1.66 8.98 -103.33 3 3 2 36 223.364 5 ↓

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine N-(cyclopentylmethyl)-2-(2-ethyl…

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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) 1.87 7.9 -52.91 2 3 1 34 222.356 6 ↓
Mid Mid (pH 6-8) 1.87 8.25 -100.63 3 3 2 36 223.364 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-2-(2-methylimidazol-1-yl)ethanamine N-[(1S)-1-cyclopentylethyl]-2-(2…

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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) 1.98 7.69 -50.16 2 3 1 34 222.356 5 ↓
Mid Mid (pH 6-8) 1.98 8.17 -99.16 3 3 2 36 223.364 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-2-(2-methylimidazol-1-yl)ethanamine N-[(1R)-1-cyclopentylethyl]-2-(2…

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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) 1.98 7.68 -50.2 2 3 1 34 222.356 5 ↓
Mid Mid (pH 6-8) 1.98 8.15 -99.07 3 3 2 36 223.364 5 ↓

Analogs

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Popular Name: (2S)-N-(cyclopentylmethyl)-1-imidazol-1-yl-propan-2-amine (2S)-N-(cyclopentylmethyl)-1-imi…

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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) 1.89 8.07 -44.07 2 3 1 34 208.329 5 ↓
Lo Low (pH 4.5-6) 1.89 8.58 -101.27 3 3 2 36 209.337 5 ↓

Analogs

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Popular Name: (2R)-N-(cyclopentylmethyl)-1-imidazol-1-yl-propan-2-amine (2R)-N-(cyclopentylmethyl)-1-imi…

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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) 1.89 7.8 -43.64 2 3 1 34 208.329 5 ↓
Lo Low (pH 4.5-6) 1.89 8.31 -104.46 3 3 2 36 209.337 5 ↓

Analogs

52277357
52277357
52277361
52277361
52277364
52277364
52277366
52277366
42861041
42861041

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Popular Name: N-(cyclopentylmethyl)-2-(2-methylimidazol-1-yl)ethanamine N-(cyclopentylmethyl)-2-(2-methy…

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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) 1.30 7.29 -52.41 2 3 1 34 208.329 5 ↓
Mid Mid (pH 6-8) 1.30 7.76 -100.71 3 3 2 36 209.337 5 ↓

Parameters Provided:

ring.id = 73214
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 = 73214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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