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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[(2S,6R)-2,6-dimethylpiperazi…

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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) 0.88 2.82 -39.95 2 6 1 68 274.348 2 ↓
Hi High (pH 8-9.5) 0.88 1.45 -8.07 1 6 0 63 273.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[(2S,6S)-2,6-dimethylpiperazi…

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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) 0.88 2.51 -43.28 2 6 1 68 274.348 2 ↓
Hi High (pH 8-9.5) 0.88 1.35 -8.52 1 6 0 63 273.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[(2R,6R)-2,6-dimethylpiperazi…

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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) 0.88 2.56 -44.09 2 6 1 68 274.348 2 ↓
Hi High (pH 8-9.5) 0.88 1.41 -8.57 1 6 0 63 273.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[4-(3,3-dimethylbutyl)piperaz…

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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) 2.79 6.83 -39.04 1 6 1 55 330.456 5 ↓
Hi High (pH 8-9.5) 2.79 4.56 -8.44 0 6 0 54 329.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one 3-[[4-(2-hydroxyethyl)piperazin-…

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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 1.24 -35.35 2 7 1 76 290.347 4 ↓
Mid Mid (pH 6-8) 0.19 -1.15 -11.22 1 7 0 74 289.339 4 ↓
Mid Mid (pH 6-8) 0.19 1.18 -36.8 2 7 1 76 290.347 4 ↓

Parameters Provided:

ring.id = 285897
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 = 285897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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