UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclooctyl-3-nitro-pyridin-2-amine N-cyclooctyl-3-nitro-pyridin-2-a…

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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) 3.72 7.54 -7.43 1 5 0 71 249.314 3 ↓

Analogs

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Popular Name: 6-tert-butoxy-N2-cyclooctyl-pyridine-2,5-diamine 6-tert-butoxy-N2-cyclooctyl-pyri…

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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) 4.83 6.51 -3.5 3 4 0 60 291.439 4 ↓

Analogs

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Popular Name: N2-cyclooctyl-6-isobutoxy-pyridine-2,5-diamine N2-cyclooctyl-6-isobutoxy-pyridi…

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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) 4.77 5.39 -4.24 3 4 0 60 291.439 5 ↓

Analogs

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Popular Name: N2-cyclooctyl-6-propoxy-pyridine-2,5-diamine N2-cyclooctyl-6-propoxy-pyridine…

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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) 4.52 4.7 -4.32 3 4 0 60 277.412 5 ↓

Analogs

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Popular Name: N2-cyclooctyl-6-isopropoxy-pyridine-2,5-diamine N2-cyclooctyl-6-isopropoxy-pyrid…

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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) 4.38 4.81 -4.28 3 4 0 60 277.412 4 ↓

Analogs

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Popular Name: N2-cyclooctyl-6-ethoxy-pyridine-2,5-diamine N2-cyclooctyl-6-ethoxy-pyridine-…

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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) 4.02 3.9 -4.54 3 4 0 60 263.385 4 ↓

Analogs

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Popular Name: N2-cyclooctyl-6-methoxy-pyridine-2,5-diamine N2-cyclooctyl-6-methoxy-pyridine…

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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) 3.65 2.95 -4.65 3 4 0 60 249.358 3 ↓

Analogs

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Popular Name: N-cyclooctyl-3-fluoro-pyridin-2-amine N-cyclooctyl-3-fluoro-pyridin-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) 3.93 7.1 -3.65 1 2 0 25 222.307 2 ↓
Lo Low (pH 4.5-6) 3.93 7.51 -28.43 2 2 1 26 223.315 2 ↓

Analogs

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Popular Name: 2-(cyclooctylamino)-5-nitro-pyridine-3-carbonitrile 2-(cyclooctylamino)-5-nitro-pyri…

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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) 3.62 8.1 -5.22 1 6 0 95 274.324 3 ↓

Analogs

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Popular Name: 6-chloro-N-cyclooctyl-3-nitro-pyridin-2-amine 6-chloro-N-cyclooctyl-3-nitro-py…

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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) 4.74 8.36 -4.26 1 5 0 71 283.759 3 ↓

Analogs

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Popular Name: 5-amino-2-(cyclooctylamino)pyridine-3-carboxamide 5-amino-2-(cyclooctylamino)pyrid…

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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) 2.21 2.05 -8.61 5 5 0 94 262.357 3 ↓
Lo Low (pH 4.5-6) 2.21 2.44 -30.17 6 5 1 95 263.365 3 ↓

Parameters Provided:

ring.id = 53853
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 = 53853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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