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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: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(1-ethylimidazol-2-yl)methyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-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) -1.87 3.2 -50.43 1 7 0 97 301.368 6 ↓
Hi High (pH 8-9.5) -1.87 2.02 -47.18 0 7 -1 95 300.36 6 ↓
Mid Mid (pH 6-8) -1.87 5.14 -79.02 2 7 1 98 302.376 6 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1-ethylimidazol-2-yl)methyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-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) -1.87 2.74 -47.78 1 7 0 97 301.368 6 ↓
Hi High (pH 8-9.5) -1.87 2.36 -60.2 0 7 -1 95 300.36 6 ↓
Mid Mid (pH 6-8) -1.87 4.9 -79.68 2 7 1 98 302.376 6 ↓

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-(aminomethyl)-N-methyl-N-…

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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) -1.70 -0.53 -113.73 4 6 2 84 274.39 4 ↓
Hi High (pH 8-9.5) -1.70 -0.73 -70.05 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.70 -1.4 -16.86 2 6 0 81 272.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-(aminomethyl)-N-methyl-N-…

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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) -1.70 -0.78 -120.1 4 6 2 84 274.39 4 ↓
Hi High (pH 8-9.5) -1.70 -1.06 -70.85 3 6 1 83 273.382 4 ↓
Hi High (pH 8-9.5) -1.70 -1.4 -15.48 2 6 0 81 272.374 4 ↓

Analogs

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Popular Name: 2-[(4-bromo-3-chloroanilino)carbonyl]benzoic acid 2-[(4-bromo-3-chloroanilino)carb…

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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 -2.96 -45.71 3 6 1 88 246.312 3 ↓
Mid Mid (pH 6-8) -1.56 -4.04 -16.71 2 6 0 86 245.304 3 ↓
Lo Low (pH 4.5-6) -1.56 -0.8 -129.81 4 6 2 89 247.32 3 ↓

Parameters Provided:

ring.id = 151568
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 = 151568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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