UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49489299
49489299
44443825
44443825
44443826
44443826

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Popular Name: (2S)-2-cyano-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-3-phenyl-propanamide (2S)-2-cyano-N-[(1S)-2-(2-furyl)…

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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) 2.77 8 -10.92 1 4 0 66 282.343 6 ↓

Analogs

49489299
49489299
44443825
44443825
44443826
44443826

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Popular Name: (2S)-2-cyano-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-3-phenyl-propanamide (2S)-2-cyano-N-[(1R)-2-(2-furyl)…

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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) 2.77 8.04 -10.59 1 4 0 66 282.343 6 ↓

Analogs

49489299
49489299
44443825
44443825
44443826
44443826

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyano-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-3-phenyl-propanamide (2R)-2-cyano-N-[(1S)-2-(2-furyl)…

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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) 2.77 8.01 -9.99 1 4 0 66 282.343 6 ↓

Analogs

49489299
49489299
44443825
44443825
44443826
44443826

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyano-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-3-phenyl-propanamide (2R)-2-cyano-N-[(1R)-2-(2-furyl)…

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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) 2.77 8.05 -11.61 1 4 0 66 282.343 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyano-N-[2-(2-furyl)ethyl]-3-phenyl-propanamide (2S)-2-cyano-N-[2-(2-furyl)ethyl…

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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) 2.44 7.11 -11.87 1 4 0 66 268.316 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyano-N-[2-(2-furyl)ethyl]-3-phenyl-propanamide (2R)-2-cyano-N-[2-(2-furyl)ethyl…

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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) 2.44 7.11 -11.39 1 4 0 66 268.316 6 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-furyl)ethyl]-3-(2-methoxyphenyl)propanamide N-[(2R)-2-dimethylamino-2-(2-fur…

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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) 2.62 7.82 -47.88 2 5 1 56 317.409 8 ↓
Hi High (pH 8-9.5) 2.62 5.36 -11.41 1 5 0 55 316.401 8 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-furyl)ethyl]-3-(2-methoxyphenyl)propanamide N-[(2S)-2-dimethylamino-2-(2-fur…

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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) 2.62 7.75 -47.74 2 5 1 56 317.409 8 ↓
Hi High (pH 8-9.5) 2.62 5.43 -11.36 1 5 0 55 316.401 8 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-furyl)ethyl]-3-(4-fluorophenyl)propanamide N-[(2S)-2-dimethylamino-2-(2-fur…

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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) 2.77 8.42 -49.75 2 4 1 47 305.373 7 ↓
Hi High (pH 8-9.5) 2.77 6.1 -10.4 1 4 0 45 304.365 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-furyl)ethyl]-3-(4-fluorophenyl)propanamide N-[(2R)-2-dimethylamino-2-(2-fur…

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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) 2.77 8.5 -49.47 2 4 1 47 305.373 7 ↓
Hi High (pH 8-9.5) 2.77 6.09 -10.6 1 4 0 45 304.365 7 ↓

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-3-(4-methoxyphenyl)propanamide N-[2-(2-furyl)ethyl]-3-(4-methox…

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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) 2.86 6.29 -11.76 1 4 0 51 273.332 7 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-3-phenyl-propanamide N-[(2R)-2-hydroxy-2-(5-methyl-2-…

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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) 2.03 4.59 -9.85 2 4 0 62 273.332 6 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-3-phenyl-propanamide N-[(2S)-2-hydroxy-2-(5-methyl-2-…

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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) 2.03 4.8 -9.74 2 4 0 62 273.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-3-(4-methoxyphenyl)propanamide N-[(2R)-2-hydroxy-2-(5-methyl-2-…

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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) 2.09 3.89 -11.28 2 5 0 72 303.358 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxy-2-(5-methyl-2-furyl)ethyl]-3-(4-methoxyphenyl)propanamide N-[(2S)-2-hydroxy-2-(5-methyl-2-…

Find On: PubMed — Wikipedia — Google

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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) 2.09 4.11 -11.1 2 5 0 72 303.358 7 ↓

Parameters Provided:

ring.id = 9481
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 = 9481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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