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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: 1-(1H-imidazol-5-ylmethyl)-6-methylsulfanyl-indoline 1-(1H-imidazol-5-ylmethyl)-6-met…

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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) 2.07 8.61 -36.11 2 3 1 33 246.359 3 ↓
Mid Mid (pH 6-8) 2.07 8.13 -11.35 1 3 0 32 245.351 3 ↓

Analogs

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Popular Name: 1-[1-(1H-imidazol-5-ylmethyl)indolin-6-yl]-1,3-dimethyl-urea 1-[1-(1H-imidazol-5-ylmethyl)ind…

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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) 1.39 7.14 -44.23 3 6 1 66 286.359 3 ↓
Mid Mid (pH 6-8) 1.39 6.66 -17.91 2 6 0 64 285.351 3 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-ylmethyl)indoline-6-carboxamidine 1-(1H-imidazol-5-ylmethyl)indoli…

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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) 0.02 5.34 -85.69 6 5 2 85 243.314 3 ↓
Mid Mid (pH 6-8) 0.02 4.87 -31.17 5 5 1 84 242.306 3 ↓

Analogs

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Popular Name: N'-hydroxy-1-(1H-imidazol-5-ylmethyl)indoline-6-carboxamidine N'-hydroxy-1-(1H-imidazol-5-ylme…

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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) -0.05 4.48 -38.12 5 6 1 92 258.305 3 ↓
Mid Mid (pH 6-8) -0.05 4 -14.38 4 6 0 91 257.297 3 ↓
Lo Low (pH 4.5-6) -0.05 4.32 -83.48 6 6 2 93 259.313 3 ↓

Analogs

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Popular Name: N-[1-(1H-imidazol-5-ylmethyl)indolin-6-yl]-N-methyl-formamide N-[1-(1H-imidazol-5-ylmethyl)ind…

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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 7.35 -42.85 2 5 1 53 257.317 3 ↓
Mid Mid (pH 6-8) 1.12 6.87 -12.2 1 5 0 52 256.309 3 ↓

Analogs

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Popular Name: methyl 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) 1.59 8.11 -44.6 2 6 1 63 287.343 4 ↓
Mid Mid (pH 6-8) 1.59 7.63 -16.78 1 6 0 61 286.335 4 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-ylmethyl)-6-[(R)-methylsulfinyl]indoline 1-(1H-imidazol-5-ylmethyl)-6-[(R…

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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) 0.47 6.18 -53.33 2 4 1 50 262.358 3 ↓
Mid Mid (pH 6-8) 0.47 5.7 -17.06 1 4 0 49 261.35 3 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-ylmethyl)-6-[(S)-methylsulfinyl]indoline 1-(1H-imidazol-5-ylmethyl)-6-[(S…

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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) 0.47 6.2 -39.87 2 4 1 50 262.358 3 ↓
Mid Mid (pH 6-8) 0.47 5.72 -23.15 1 4 0 49 261.35 3 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-ylmethyl)-N-methyl-indoline-6-sulfonamide 1-(1H-imidazol-5-ylmethyl)-N-met…

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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) 0.70 3.77 -41.86 3 6 1 79 293.372 4 ↓
Mid Mid (pH 6-8) 0.70 3.29 -17.35 2 6 0 78 292.364 4 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-ylmethyl)-N'-methoxy-indoline-6-carboxamidine 1-(1H-imidazol-5-ylmethyl)-N'-me…

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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) 0.22 6.54 -43.11 4 6 1 81 272.332 4 ↓
Mid Mid (pH 6-8) 0.22 6.06 -12.64 3 6 0 80 271.324 4 ↓
Lo Low (pH 4.5-6) 0.22 6.5 -82.5 5 6 2 82 273.34 4 ↓

Analogs

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Popular Name: 6-(dimethylsulfamoylamino)-1-(1H-imidazol-5-ylmethyl)indoline 6-(dimethylsulfamoylamino)-1-(1H…

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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) 0.87 4.75 -45.29 3 7 1 83 322.414 5 ↓
Hi High (pH 8-9.5) 0.87 4.28 -58.37 1 7 -1 83 320.398 5 ↓
Mid Mid (pH 6-8) 0.87 4.18 -14.24 2 7 0 81 321.406 5 ↓

Analogs

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Popular Name: [1-(1H-imidazol-5-ylmethyl)indolin-6-yl]urea [1-(1H-imidazol-5-ylmethyl)indol…

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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) 0.77 3.66 -45.59 5 6 1 88 258.305 3 ↓
Mid Mid (pH 6-8) 0.77 3.18 -15.74 4 6 0 87 257.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-imidazol-5-ylmethyl)indoline-6-carboxamide 1-(1H-imidazol-5-ylmethyl)indoli…

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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) 0.45 4.38 -38.9 4 5 1 76 243.29 3 ↓
Mid Mid (pH 6-8) 0.45 3.9 -17.97 3 5 0 75 242.282 3 ↓

Parameters Provided:

ring.id = 14567
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 = 14567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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