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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(4-aminophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(4-aminophenyl)-3-[[(3R)-1,1-d…

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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) 0.01 1.83 -63.84 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) 0.01 -0.66 -17.24 3 6 0 93 311.407 5 ↓

Analogs

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Popular Name: N-(4-aminophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(4-aminophenyl)-3-[[(3S)-1,1-d…

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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) 0.01 1.85 -62.09 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) 0.01 -0.41 -17.15 3 6 0 93 311.407 5 ↓

Analogs

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Popular Name: N-(3-aminophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(3-aminophenyl)-3-[[(3R)-1,1-d…

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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) -0.01 1.84 -64.24 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) -0.01 -0.66 -17.19 3 6 0 93 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(3-aminophenyl)-3-[[(3S)-1,1-d…

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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) -0.01 1.86 -62.56 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) -0.01 -0.4 -17.09 3 6 0 93 311.407 5 ↓

Analogs

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Popular Name: N-(2-aminophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(2-aminophenyl)-3-[[(3R)-1,1-d…

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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) 0.37 2.13 -64.97 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) 0.37 -0.37 -17.43 3 6 0 93 311.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]propanamide N-(2-aminophenyl)-3-[[(3S)-1,1-d…

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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) 0.37 2.15 -63.18 4 6 1 94 312.415 5 ↓
Mid Mid (pH 6-8) 0.37 -0.12 -17.33 3 6 0 93 311.407 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]propanamide N-(5-chloro-2-methoxy-phenyl)-3-…

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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) 2.48 5.01 -61.12 2 6 1 77 389.925 8 ↓
Mid Mid (pH 6-8) 2.48 2.93 -18.04 1 6 0 76 388.917 8 ↓

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]-propyl-amino]propanamide N-(3-chloro-4-cyano-phenyl)-3-[[…

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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) 2.18 5.9 -70.8 2 6 1 91 384.909 7 ↓
Mid Mid (pH 6-8) 2.18 3.88 -19.4 1 6 0 90 383.901 7 ↓

Parameters Provided:

ring.id = 117289
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 = 117289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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