UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-azetidin-3-amine N-cyclopropyl-N-ethyl-azetidin-3…

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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) 0.72 3.83 -103.14 3 2 2 21 142.246 3 ↓
Hi High (pH 8-9.5) 0.72 1.77 -35.5 2 2 1 20 141.238 3 ↓
Hi High (pH 8-9.5) 0.72 -0.23 -1.14 1 2 0 15 140.23 3 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-azetidin-3-amine N-cyclopropyl-N-methyl-azetidin-…

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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) 0.34 1.18 -35.51 2 2 1 20 127.211 2 ↓
Hi High (pH 8-9.5) 0.34 -0.5 -1.15 1 2 0 15 126.203 2 ↓
Mid Mid (pH 6-8) 0.34 1.72 -29.88 2 2 1 16 127.211 2 ↓

Analogs

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Popular Name: N-butyl-N-cyclopropyl-azetidin-3-amine N-butyl-N-cyclopropyl-azetidin-3…

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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) 1.78 5.4 -106.63 3 2 2 21 170.3 5 ↓
Hi High (pH 8-9.5) 1.78 1.29 -0.98 1 2 0 15 168.284 5 ↓
Mid Mid (pH 6-8) 1.78 3.72 -29.71 2 2 1 16 169.292 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-methoxyethyl)azetidin-3-amine N-cyclopropyl-N-(2-methoxyethyl)…

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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) 0.33 1.26 -38.47 2 3 1 29 171.264 5 ↓
Hi High (pH 8-9.5) 0.33 -0.42 -1.83 1 3 0 24 170.256 5 ↓
Mid Mid (pH 6-8) 0.33 3.06 -103.49 3 3 2 30 172.272 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-isobutyl-azetidin-3-amine N-cyclopropyl-N-isobutyl-azetidi…

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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) 1.46 5.14 -105.66 3 2 2 21 170.3 4 ↓
Hi High (pH 8-9.5) 1.46 3.19 -37.95 2 2 1 20 169.292 4 ↓
Hi High (pH 8-9.5) 1.46 1.52 -0.78 1 2 0 15 168.284 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2,2,2-trifluoroethyl)azetidin-3-amine N-cyclopropyl-N-(2,2,2-trifluoro…

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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) 1.27 1.91 -44.79 2 2 1 20 195.208 4 ↓
Mid Mid (pH 6-8) 1.27 0.25 -2.67 1 2 0 15 194.2 4 ↓

Parameters Provided:

ring.id = 370860
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 = 370860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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