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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-(2-imidazol-1-ylethyl)-1,3,4-thiadiazol-2-amine N-(2-imidazol-1-ylethyl)-1,3,4-t…

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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) 0.19 4.86 -40.52 2 5 1 57 196.259 4 ↓
Mid Mid (pH 6-8) 0.19 4.35 -14.05 1 5 0 56 195.251 4 ↓

Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1,3,4-thiadiazol-2-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 0.52 5.69 -40.25 2 5 1 57 210.286 4 ↓
Mid Mid (pH 6-8) 0.52 5.17 -14.46 1 5 0 56 209.278 4 ↓

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-1,3,4-thiadiazol-2-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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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) 0.52 5.62 -40.97 2 5 1 57 210.286 4 ↓
Mid Mid (pH 6-8) 0.52 5.11 -14.18 1 5 0 56 209.278 4 ↓

Analogs

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Popular Name: 5-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S)-2-imidazol-1-yl-1-methy…

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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) 1.04 6.11 -60.89 2 5 0 57 241.345 4 ↓
Mid Mid (pH 6-8) 1.04 5.6 -48.46 1 5 -1 56 240.337 4 ↓

Analogs

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Popular Name: 5-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R)-2-imidazol-1-yl-1-methy…

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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) 1.04 6.05 -60.63 2 5 0 57 241.345 4 ↓
Mid Mid (pH 6-8) 1.04 5.53 -48.62 1 5 -1 56 240.337 4 ↓

Analogs

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Popular Name: 2-[[5-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1S)-2-imidazol-1-yl-1-m…

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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) 0.49 7.46 -69.15 2 7 0 97 299.381 7 ↓
Mid Mid (pH 6-8) 0.49 6.94 -52.54 1 7 -1 96 298.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1R)-2-imidazol-1-yl-1-m…

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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) 0.49 7.39 -69.92 2 7 0 97 299.381 7 ↓
Mid Mid (pH 6-8) 0.49 6.88 -52.35 1 7 -1 96 298.373 7 ↓

Parameters Provided:

ring.id = 506674
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 = 506674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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