UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R,9R)-N-[(1S)-1-cyclopentylethyl]-9-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5R,9R)-N-[(1S)-1-cyclopentyleth…

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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) 4.49 9.87 -24.13 2 2 1 26 281.489 3 ↓

Analogs

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Popular Name: (5R,9S)-N-[(1S)-1-cyclopentylethyl]-9-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5R,9S)-N-[(1S)-1-cyclopentyleth…

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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) 4.49 9.46 -24.01 2 2 1 26 281.489 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,9R)-N-[(1S)-1-cyclopentylethyl]-9-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5S,9R)-N-[(1S)-1-cyclopentyleth…

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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) 4.49 9.47 -23.91 2 2 1 26 281.489 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,9S)-N-[(1S)-1-cyclopentylethyl]-9-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5S,9S)-N-[(1S)-1-cyclopentyleth…

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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) 4.49 9.87 -24.09 2 2 1 26 281.489 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1S)-1-cyclopentylethyl]-3-th…

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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) 4.48 9.15 -24.02 2 2 1 26 267.462 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1R)-1-cyclopentylethyl]-3-th…

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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) 4.48 9.12 -23.89 2 2 1 26 267.462 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1S)-1-cyclopentylethyl]-8-me…

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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) 4.26 9.86 -24.21 2 2 1 26 281.489 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1R)-1-cyclopentylethyl]-8-me…

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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) 4.26 9.32 -24.16 2 2 1 26 281.489 3 ↓

Parameters Provided:

ring.id = 534071
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 = 534071 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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