UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-chlorothiadiazol-4-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) 1.57 3.65 -5.89 0 4 0 46 231.708 2 ↓

Analogs

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Popular Name: (4S)-1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-chlorothiadiazol-4-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) 1.57 3.65 -6 0 4 0 46 231.708 2 ↓

Analogs

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Popular Name: (4R)-1-[(5-aminothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-aminothiadiazol-4-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) 0.38 1.27 -6.81 2 5 0 72 212.278 2 ↓

Analogs

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Popular Name: (4S)-1-[(5-aminothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-aminothiadiazol-4-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) 0.38 1.27 -6.94 2 5 0 72 212.278 2 ↓

Analogs

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Popular Name: (4R)-4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[5-(methylamino…

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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) 0.75 2.32 -7.12 1 5 0 58 226.305 3 ↓

Analogs

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Popular Name: (4S)-4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[5-(methylamino…

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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) 0.75 2.32 -7.27 1 5 0 58 226.305 3 ↓

Analogs

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Popular Name: (4R)-1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[5-(ethylamino)thiadiazo…

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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) 1.13 2.97 -16.82 1 5 0 58 240.332 4 ↓

Analogs

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Popular Name: (4S)-1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[5-(ethylamino)thiadiazo…

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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) 1.13 2.94 -17.11 1 5 0 58 240.332 4 ↓

Analogs

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Popular Name: (4R)-4-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (4R)-4-methyl-1-[[5-(propylamino…

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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) 1.63 3.73 -16.53 1 5 0 58 254.359 5 ↓

Analogs

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Popular Name: (4S)-4-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrrolidin-2-one (4S)-4-methyl-1-[[5-(propylamino…

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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) 1.63 3.69 -16.83 1 5 0 58 254.359 5 ↓

Analogs

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Popular Name: (4R)-1-[(5-hydrazinothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-hydrazinothiadiazol-4…

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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) 0.14 1.01 -7.68 3 6 0 84 227.293 3 ↓
Lo Low (pH 4.5-6) 0.14 0.83 -46.93 4 6 1 86 228.301 3 ↓

Analogs

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Popular Name: (4S)-1-[(5-hydrazinothiadiazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-hydrazinothiadiazol-4…

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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) 0.14 1.02 -7.79 3 6 0 84 227.293 3 ↓
Lo Low (pH 4.5-6) 0.14 0.84 -46.94 4 6 1 86 228.301 3 ↓

Parameters Provided:

ring.id = 279967
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 = 279967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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