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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-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5R)-2-(N'-cyclododecylidenehydraz N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.73 13.65 -51.46 1 7 -1 98 544.811 6 ↓
Lo Low (pH 4.5-6) 7.73 13.73 -19.81 2 7 0 96 545.819 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5R)-2-(N'-cyclododecylidenehydraz N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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) 7.73 13.65 -51.59 1 7 -1 98 544.811 6 ↓
Lo Low (pH 4.5-6) 7.73 13.73 -19.82 2 7 0 96 545.819 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5S)-2-(N'-cyclododecylidenehydraz N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.73 13.65 -52.06 1 7 -1 98 544.811 6 ↓
Lo Low (pH 4.5-6) 7.73 13.73 -20.27 2 7 0 96 545.819 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5S)-2-(N'-cyclododecylidenehydraz N-[(6S)-6-tert-butyl-4,5,6,7-tet…

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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) 7.73 13.65 -52.01 1 7 -1 98 544.811 6 ↓
Lo Low (pH 4.5-6) 7.73 13.73 -20.21 2 7 0 96 545.819 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5S)-2-[(N'E)-N'-[(2R)-2-methylcyc N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.97 14.19 -52.12 1 7 -1 98 558.838 6 ↓
Lo Low (pH 4.5-6) 7.97 14.27 -20.05 2 7 0 96 559.846 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5S)-2-[(N'E)-N'-[(2S)-2-methylcyc N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.97 14.11 -52.11 1 7 -1 98 558.838 6 ↓
Lo Low (pH 4.5-6) 7.97 14.09 -20.13 2 7 0 96 559.846 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5R)-2-[(N'E)-N'-[(2R)-2-methylcyc N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.97 14.18 -51.59 1 7 -1 98 558.838 6 ↓
Lo Low (pH 4.5-6) 7.97 14.26 -19.65 2 7 0 96 559.846 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[(5R)-2-[(N'E)-N'-[(2S)-2-methylcyc N-[(6R)-6-tert-butyl-4,5,6,7-tet…

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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) 7.97 14.1 -51.62 1 7 -1 98 558.838 6 ↓
Lo Low (pH 4.5-6) 7.97 14.09 -19.71 2 7 0 96 559.846 6 ↓

Parameters Provided:

ring.id = 196551
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 = 196551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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