UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane 1-(pyrrolidine-1-carbonyl)-6-aza…

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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) 0.58 5.22 -40.51 2 3 1 37 209.313 1 ↓

Analogs

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Popular Name: 1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane 1-(pyrrolidine-1-carbonyl)-6-aza…

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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) 0.58 4.89 -49.57 2 3 1 37 209.313 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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) 0.92 5.58 -50.04 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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) 0.92 5.55 -50.38 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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) 0.92 5.62 -50.2 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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) 0.92 5.62 -49.64 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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) 1.06 5.5 -50.04 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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) 1.06 5.47 -50.5 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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) 1.06 5.51 -49.74 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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) 1.06 5.51 -50.35 2 3 1 37 223.34 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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 1.82 -43.27 3 4 1 57 225.312 1 ↓

Analogs

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Popular Name: [(2R)-6-azaspiro[2.5]octan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone [(2R)-6-azaspiro[2.5]octan-2-yl]…

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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 1.5 -53.13 3 4 1 57 225.312 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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 1.53 -52.09 3 4 1 57 225.312 1 ↓

Analogs

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Popular Name: [(2S)-6-azaspiro[2.5]octan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone [(2S)-6-azaspiro[2.5]octan-2-yl]…

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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 1.55 -54.76 3 4 1 57 225.312 1 ↓

Parameters Provided:

ring.id = 459199
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 = 459199 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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