UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-ethyl-cyclopropanamine N-[[(2R)-6-azaspiro[2.5]octan-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) 1.60 7.64 -89.09 3 2 2 21 210.365 4 ↓

Analogs

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Popular Name: N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-N-ethyl-cyclopropanamine N-[[(2S)-6-azaspiro[2.5]octan-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) 1.60 7.63 -89.8 3 2 2 21 210.365 4 ↓

Analogs

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Popular Name: N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine N-{6-azaspiro[2.5]octan-1-ylmeth…

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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) 1.23 7.01 -89.24 3 2 2 21 196.338 3 ↓

Analogs

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Popular Name: N-{6-azaspiro[2.5]octan-1-ylmethyl}-N-methylcyclopropanamine N-{6-azaspiro[2.5]octan-1-ylmeth…

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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) 1.23 7.07 -84.48 3 2 2 21 196.338 3 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-propyl-cyclopropanamine N-[[(2R)-6-azaspiro[2.5]octan-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) 2.11 8.48 -90.14 3 2 2 21 224.392 5 ↓

Analogs

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Popular Name: N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-N-propyl-cyclopropanamine N-[[(2S)-6-azaspiro[2.5]octan-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) 2.11 8.2 -85.75 3 2 2 21 224.392 5 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine N-[[(2R)-6-azaspiro[2.5]octan-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) 0.98 5.16 -88.12 4 2 2 33 182.311 3 ↓

Analogs

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Popular Name: N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]cyclopropanamine N-[[(2S)-6-azaspiro[2.5]octan-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) 0.98 5.11 -93.72 4 2 2 33 182.311 3 ↓

Analogs

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Popular Name: (1S)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2,2-dimethyl-cyclopropanamine (1S)-N-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.55 6.51 -94.73 4 2 2 33 210.365 3 ↓

Analogs

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Popular Name: (1R)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2,2-dimethyl-cyclopropanamine (1R)-N-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.55 6.58 -89.36 4 2 2 33 210.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-2,2-dimethyl-cyclopropanamine (1S)-N-[[(2S)-6-azaspiro[2.5]oct…

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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) 1.55 6.51 -94.87 4 2 2 33 210.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-2,2-dimethyl-cyclopropanamine (1R)-N-[[(2S)-6-azaspiro[2.5]oct…

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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) 1.55 6.58 -89.36 4 2 2 33 210.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-cyclopropanamine (1S,2R)-N-[[(2R)-6-azaspiro[2.5]…

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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) 1.59 6.03 -93.68 4 2 2 33 196.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-cyclopropanamine (1S,2S)-N-[[(2R)-6-azaspiro[2.5]…

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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) 1.59 5.83 -89.02 4 2 2 33 196.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-cyclopropanamine (1R,2R)-N-[[(2R)-6-azaspiro[2.5]…

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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) 1.59 5.77 -94.56 4 2 2 33 196.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-2-methyl-cyclopropanamine (1R,2S)-N-[[(2R)-6-azaspiro[2.5]…

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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) 1.59 6.01 -94.1 4 2 2 33 196.338 3 ↓

Parameters Provided:

ring.id = 459441
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 = 459441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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