UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-1-cyclopropyl-N-methyl-ethanamine (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) 2.06 8.12 -91.7 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: (1R)-N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-1-cyclopropyl-N-methyl-ethanamine (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) 2.06 8.23 -92.18 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: 1-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(cyclopropylmethyl)-N-methyl-methanamine 1-[(2R)-6-azaspiro[2.5]octan-2-y…

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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) 1.73 7.81 -93.14 3 2 2 21 210.365 4 ↓

Analogs

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Popular Name: 1-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(cyclopropylmethyl)-N-methyl-methanamine 1-[(2S)-6-azaspiro[2.5]octan-2-y…

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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) 1.73 7.85 -93.47 3 2 2 21 210.365 4 ↓

Analogs

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Popular Name: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine {6-azaspiro[2.5]octan-1-ylmethyl…

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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) 1.14 6 -91.93 4 2 2 33 196.338 4 ↓

Analogs

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Popular Name: {6-azaspiro[2.5]octan-1-ylmethyl}(cyclopropylmethyl)amine {6-azaspiro[2.5]octan-1-ylmethyl…

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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) 1.14 5.95 -97.74 4 2 2 33 196.338 4 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]methanamine 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) 2.34 8.4 -94.46 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine 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) 2.34 8.5 -94.16 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine 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) 2.34 8.49 -94.41 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine 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) 2.34 8.42 -94.28 3 2 2 21 224.392 4 ↓

Analogs

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Popular Name: N-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-N-(cyclopropylmethyl)ethanamine 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 8.57 -85.99 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-(cyclopropylmethyl)ethanamine 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 8.22 -93.06 3 2 2 21 224.392 5 ↓

Parameters Provided:

ring.id = 459461
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 = 459461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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