UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-furylmethylamino)-1-pyrrolidin-1-yl-propan-1-one 3-(2-furylmethylamino)-1-pyrroli…

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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) 0.78 4.92 -46.52 2 4 1 50 223.296 5 ↓

Analogs

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Popular Name: 3-[(5-methyl-2-furyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(5-methyl-2-furyl)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) 1.00 5.73 -46.5 2 4 1 50 237.323 5 ↓

Analogs

37819869
37819869
37819884
37819884

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Popular Name: 3-[(5-bromo-2-furyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(5-bromo-2-furyl)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) 1.71 5.65 -49.75 2 4 1 50 302.192 5 ↓

Analogs

43448360
43448360
43448361
43448361

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Popular Name: 3-[[(1R)-1-(2-furyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-1-(2-furyl)ethyl]amino]…

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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) 1.34 5.49 -43.75 2 4 1 50 237.323 5 ↓

Analogs

43448360
43448360
43448361
43448361

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Popular Name: 3-[[(1S)-1-(2-furyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-1-(2-furyl)ethyl]amino]…

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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) 1.34 5.49 -43.75 2 4 1 50 237.323 5 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(5-methyl-2-furyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-1-(5-methyl-2-furyl)eth…

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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) 1.56 6.3 -43.4 2 4 1 50 251.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(5-methyl-2-furyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-1-(5-methyl-2-furyl)eth…

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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) 1.56 6.3 -43.39 2 4 1 50 251.35 5 ↓

Analogs

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Popular Name: 3-[(5-nitro-2-furyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(5-nitro-2-furyl)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) 0.86 5.63 -59.53 2 7 1 96 268.293 6 ↓

Analogs

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Popular Name: 3-[(5-iodo-2-furyl)methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[(5-iodo-2-furyl)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) 1.99 6.13 -47.66 2 4 1 50 349.192 5 ↓

Analogs

37997353
37997353
37997354
37997354

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Popular Name: 3-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-1-pyrrolidin-1-yl-propan-1-one 3-[[5-(methylsulfanylmethyl)-2-f…

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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) 1.51 6.97 -47.63 2 4 1 50 283.417 7 ↓

Parameters Provided:

ring.id = 24902
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 = 24902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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