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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-(3-aminopropyl)-N-cyclopropyl-1H-imidazole-4-sulfonamide N-(3-aminopropyl)-N-cyclopropyl-…

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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) -1.03 0.25 -50.7 4 6 1 94 245.328 6 ↓
Hi High (pH 8-9.5) -1.03 -0.24 -66.24 3 6 0 92 244.32 6 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-cyclopropyl-1H-imidazole-4-sulfonamide N-(2-aminoethyl)-N-cyclopropyl-1…

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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) -1.30 -0.52 -50.3 4 6 1 94 231.301 5 ↓
Hi High (pH 8-9.5) -1.30 -1.01 -62.67 3 6 0 92 230.293 5 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-1H-imidazole-4-sulfonamide N-[(1R,2S)-2-aminocyclopropyl]-1…

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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) -1.21 -2.71 -50.06 5 6 1 102 203.247 3 ↓
Mid Mid (pH 6-8) -1.21 -3.07 -12.25 4 6 0 101 202.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-1H-imidazole-4-sulfonamide N-[(1S,2S)-2-aminocyclopropyl]-1…

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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) -1.21 -2.91 -51.55 5 6 1 102 203.247 3 ↓
Mid Mid (pH 6-8) -1.21 -3.23 -12.71 4 6 0 101 202.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-aminocyclopropyl]-1H-imidazole-4-sulfonamide N-[(1R,2R)-2-aminocyclopropyl]-1…

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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) -1.21 -2.91 -50.04 5 6 1 102 203.247 3 ↓
Mid Mid (pH 6-8) -1.21 -3.23 -13.75 4 6 0 101 202.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-aminocyclopropyl]-1H-imidazole-4-sulfonamide N-[(1S,2R)-2-aminocyclopropyl]-1…

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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) -1.21 -2.71 -50.92 5 6 1 102 203.247 3 ↓
Mid Mid (pH 6-8) -1.21 -3.02 -12.95 4 6 0 101 202.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-cyclopropyl-2-methyl-1H-imidazole-5-sulfonamide N-(2-aminoethyl)-N-cyclopropyl-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) -1.22 -0.66 -49.95 4 6 1 94 245.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-2-methyl-1H-imidazole-5-sulfonamide N-[(1R,2S)-2-aminocyclopropyl]-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) -1.12 -2.86 -49.66 5 6 1 102 217.274 3 ↓
Mid Mid (pH 6-8) -1.12 -3.22 -11.78 4 6 0 101 216.266 3 ↓
Lo Low (pH 4.5-6) -1.12 -2.42 -97.73 6 6 2 104 218.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-2-methyl-1H-imidazole-5-sulfonamide N-[(1S,2S)-2-aminocyclopropyl]-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) -1.12 -3.06 -50.83 5 6 1 102 217.274 3 ↓
Mid Mid (pH 6-8) -1.12 -3.38 -12.21 4 6 0 101 216.266 3 ↓
Lo Low (pH 4.5-6) -1.12 -2.61 -107.94 6 6 2 104 218.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-aminocyclopropyl]-2-methyl-1H-imidazole-5-sulfonamide N-[(1R,2R)-2-aminocyclopropyl]-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) -1.12 -3.06 -49.5 5 6 1 102 217.274 3 ↓
Mid Mid (pH 6-8) -1.12 -3.38 -13.28 4 6 0 101 216.266 3 ↓
Lo Low (pH 4.5-6) -1.12 -2.61 -100.53 6 6 2 104 218.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-aminocyclopropyl]-2-methyl-1H-imidazole-5-sulfonamide N-[(1S,2R)-2-aminocyclopropyl]-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) -1.12 -2.86 -50.15 5 6 1 102 217.274 3 ↓
Mid Mid (pH 6-8) -1.12 -3.17 -12.54 4 6 0 101 216.266 3 ↓
Lo Low (pH 4.5-6) -1.12 -2.42 -105.17 6 6 2 104 218.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-2-ethyl-1H-imidazole-5-sulfonamide N-[(1R,2S)-2-aminocyclopropyl]-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) -0.55 -2.22 -49.35 5 6 1 102 231.301 4 ↓
Mid Mid (pH 6-8) -0.55 -2.58 -11.39 4 6 0 101 230.293 4 ↓
Lo Low (pH 4.5-6) -0.55 -1.81 -97.2 6 6 2 104 232.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-2-ethyl-1H-imidazole-5-sulfonamide N-[(1S,2S)-2-aminocyclopropyl]-2…

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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) -0.55 -2.43 -50.74 5 6 1 102 231.301 4 ↓
Mid Mid (pH 6-8) -0.55 -2.74 -11.83 4 6 0 101 230.293 4 ↓
Lo Low (pH 4.5-6) -0.55 -2 -107.33 6 6 2 104 232.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-aminocyclopropyl]-2-ethyl-1H-imidazole-5-sulfonamide N-[(1R,2R)-2-aminocyclopropyl]-2…

Find On: PubMed — Wikipedia — Google

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) -0.55 -2.43 -49.23 5 6 1 102 231.301 4 ↓
Mid Mid (pH 6-8) -0.55 -2.75 -12.99 4 6 0 101 230.293 4 ↓
Lo Low (pH 4.5-6) -0.55 -2 -100.06 6 6 2 104 232.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-aminocyclopropyl]-2-ethyl-1H-imidazole-5-sulfonamide N-[(1S,2R)-2-aminocyclopropyl]-2…

Find On: PubMed — Wikipedia — Google

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) -0.55 -2.22 -50.08 5 6 1 102 231.301 4 ↓
Mid Mid (pH 6-8) -0.55 -2.53 -12.18 4 6 0 101 230.293 4 ↓
Lo Low (pH 4.5-6) -0.55 -1.81 -104.49 6 6 2 104 232.309 4 ↓

Parameters Provided:

ring.id = 272983
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 = 272983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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