UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25858853
25858853
25858858
25858858
25858868
25858868
25859469
25859469

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Popular Name: N-[(1S)-2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carb N-[(1S)-2-[[(2R)-2-(dimethylamin…

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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) 1.47 5.14 -46.6 3 7 1 85 360.434 8 ↓
Mid Mid (pH 6-8) 1.47 3.55 -11.99 2 7 0 84 359.426 8 ↓

Analogs

25858853
25858853
25858858
25858858
25858868
25858868
25859469
25859469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carb N-[(1R)-2-[[(2R)-2-(dimethylamin…

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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) 1.47 5.14 -47.68 3 7 1 85 360.434 8 ↓
Mid Mid (pH 6-8) 1.47 3.55 -12.17 2 7 0 84 359.426 8 ↓

Analogs

25858853
25858853
25858858
25858858
25858868
25858868
25859469
25859469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carb N-[(1S)-2-[[(2S)-2-(dimethylamin…

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Activity (Go SEA)

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) 1.47 5.16 -48.23 3 7 1 85 360.434 8 ↓
Mid Mid (pH 6-8) 1.47 2.55 -11.34 2 7 0 84 359.426 8 ↓

Analogs

25858853
25858853
25858858
25858858
25858868
25858868
25859469
25859469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carb N-[(1R)-2-[[(2S)-2-(dimethylamin…

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Activity (Go SEA)

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) 1.47 5.16 -47.11 3 7 1 85 360.434 8 ↓
Mid Mid (pH 6-8) 1.47 2.54 -11.33 2 7 0 84 359.426 8 ↓

Analogs

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Popular Name: N-[2-[[2-methyl-2-(m-tolyl)propyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[2-[[2-methyl-2-(m-tolyl)propy…

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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) 3.20 5.62 -11.1 2 5 0 71 314.385 6 ↓

Analogs

21004928
21004928

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Popular Name: N-[(1R)-2-methyl-1-(phenethylcarbamoyl)propyl]furan-2-carboxamide N-[(1R)-2-methyl-1-(phenethylcar…

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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) 2.41 6.18 -10.21 2 5 0 71 314.385 7 ↓

Analogs

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Popular Name: 5-bromo-N-[2-[[(1R)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide 5-bromo-N-[2-[[(1R)-2-(2,4-dimet…

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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) 3.89 6.62 -9.9 2 5 0 71 393.281 6 ↓

Analogs

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Popular Name: 5-bromo-N-[2-[[(1S)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide 5-bromo-N-[2-[[(1S)-2-(2,4-dimet…

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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) 3.89 6.68 -9.9 2 5 0 71 393.281 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-[[2-methyl-2-(o-tolyl)propyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-methyl-N-[2-[[2-methyl-2-(o-to…

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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) 3.42 7.68 -16.81 1 5 0 63 328.412 6 ↓

Parameters Provided:

ring.id = 48878
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 = 48878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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