UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.85 9.52 -24.03 2 2 1 26 267.462 4 ↓

Analogs

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

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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) 3.85 9.19 -24.17 2 2 1 26 267.462 4 ↓

Analogs

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

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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) 3.85 9.12 -23.85 2 2 1 26 267.462 4 ↓

Analogs

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

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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) 3.85 9.52 -23.96 2 2 1 26 267.462 4 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.84 8.93 -23.75 2 2 1 26 253.435 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.84 9 -23.91 2 2 1 26 253.435 4 ↓

Analogs

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

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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) 3.61 9.13 -23.92 2 2 1 26 267.462 4 ↓

Analogs

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

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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) 3.61 9.59 -24.38 2 2 1 26 267.462 4 ↓

Analogs

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Popular Name: (5R,7S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5R,7S)-N-[(1S)-1-(cyclopropylme…

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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 9.21 -23.85 2 2 1 26 281.489 5 ↓

Analogs

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Popular Name: (5R,7S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5R,7S)-N-[(1R)-1-(cyclopropylme…

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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 9.29 -24.01 2 2 1 26 281.489 5 ↓

Analogs

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Popular Name: (5S,7S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5S,7S)-N-[(1S)-1-(cyclopropylme…

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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 9.62 -23.98 2 2 1 26 281.489 5 ↓

Analogs

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Popular Name: (5S,7S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (5S,7S)-N-[(1R)-1-(cyclopropylme…

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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 9.7 -24.1 2 2 1 26 281.489 5 ↓

Analogs

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

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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 9.1 -23.95 2 2 1 26 267.462 5 ↓

Analogs

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

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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 9.1 -23.78 2 2 1 26 267.462 5 ↓

Analogs

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

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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) 4.15 9.61 -24.09 2 2 1 26 281.489 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.15 9.31 -24.04 2 2 1 26 281.489 5 ↓

Parameters Provided:

ring.id = 522455
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 = 522455 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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