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

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Popular Name: 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]thiadiazol-5-amine 4-[[methyl-[(1-methylimidazol-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) -0.26 0.69 -37.59 3 6 1 74 239.328 4 ↓
Hi High (pH 8-9.5) -0.26 0.45 -15.18 2 6 0 73 238.32 4 ↓
Mid Mid (pH 6-8) -0.26 2.8 -47.38 3 6 1 74 239.328 4 ↓

Analogs

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Popular Name: N-methyl-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]thiadiazol-5-amine N-methyl-4-[[methyl-[(1-methylim…

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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) 0.11 4.08 -110.53 3 6 2 61 254.363 5 ↓
Mid Mid (pH 6-8) 0.11 3.88 -42.65 2 6 1 60 253.355 5 ↓

Analogs

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Popular Name: N-ethyl-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]thiadiazol-5-amine N-ethyl-4-[[methyl-[(1-methylimi…

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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 4.9 -109.87 3 6 2 61 268.39 6 ↓
Hi High (pH 8-9.5) 0.49 2.38 -10.72 1 6 0 59 266.374 6 ↓
Hi High (pH 8-9.5) 0.49 2.6 -35.7 2 6 1 60 267.382 6 ↓

Analogs

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Popular Name: 4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-propyl-thiadiazol-5-amine 4-[[methyl-[(1-methylimidazol-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) 0.99 5.66 -110.87 3 6 2 61 282.417 7 ↓
Hi High (pH 8-9.5) 0.99 3.36 -35.75 2 6 1 60 281.409 7 ↓
Hi High (pH 8-9.5) 0.99 3.13 -10.46 1 6 0 59 280.401 7 ↓

Analogs

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Popular Name: N-[(5-hydrazinothiadiazol-4-yl)methyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine N-[(5-hydrazinothiadiazol-4-yl)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) -0.50 2.59 -48 4 7 1 86 254.343 5 ↓
Hi High (pH 8-9.5) -0.50 0.48 -38.03 4 7 1 86 254.343 5 ↓
Hi High (pH 8-9.5) -0.50 0.24 -15.7 3 7 0 85 253.335 5 ↓

Parameters Provided:

ring.id = 98782
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 = 98782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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