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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: (7R)-N2-(cyclohexylmethyl)-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclohexylmethyl)-N2,5,…

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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) 2.82 8.18 -44.62 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.82 7.85 -6.11 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.82 8.57 -95.75 4 3 2 45 309.523 3 ↓

Analogs

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Popular Name: (7S)-N2-(cyclohexylmethyl)-N2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclohexylmethyl)-N2,5,…

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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) 2.82 8.11 -43.57 3 3 1 44 308.515 3 ↓
Hi High (pH 8-9.5) 2.82 7.78 -4.29 2 3 0 42 307.507 3 ↓
Mid Mid (pH 6-8) 2.82 8.15 -95.67 4 3 2 45 309.523 3 ↓

Analogs

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Popular Name: (7R)-N2-(cyclohexylmethyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclohexylmethyl)-N2-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) 1.93 7.29 -44.01 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.93 6.96 -6.61 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.93 7.7 -94.04 4 3 2 45 281.469 3 ↓

Analogs

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Popular Name: (7S)-N2-(cyclohexylmethyl)-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclohexylmethyl)-N2-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) 1.93 7.29 -44.18 3 3 1 44 280.461 3 ↓
Hi High (pH 8-9.5) 1.93 6.97 -5.32 2 3 0 42 279.453 3 ↓
Mid Mid (pH 6-8) 1.93 7.7 -94 4 3 2 45 281.469 3 ↓

Analogs

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Popular Name: (7R)-N2-(cyclohexylmethyl)-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclohexylmethyl)-N2,N7…

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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) 4.18 8.96 -37.53 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 7.56 -4.65 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.02 -87.97 3 3 2 34 295.496 4 ↓

Analogs

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Popular Name: (7S)-N2-(cyclohexylmethyl)-N2,N7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclohexylmethyl)-N2,N7…

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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) 4.18 8.98 -37.53 2 3 1 33 294.488 4 ↓
Hi High (pH 8-9.5) 4.18 7.57 -6.09 1 3 0 28 293.48 4 ↓
Mid Mid (pH 6-8) 4.18 9.02 -87.76 3 3 2 34 295.496 4 ↓

Analogs

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Popular Name: (7R)-N2-(cyclohexylmethyl)-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-(cyclohexylmethyl)-N7-et…

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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) 4.56 9.81 -36.13 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.56 8.48 -4.51 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.56 9.87 -87.36 3 3 2 34 309.523 5 ↓

Analogs

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Popular Name: (7S)-N2-(cyclohexylmethyl)-N7-ethyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-(cyclohexylmethyl)-N7-et…

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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) 4.56 9.83 -36.08 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.56 8.49 -5.88 1 3 0 28 307.507 5 ↓
Mid Mid (pH 6-8) 4.56 9.87 -87.2 3 3 2 34 309.523 5 ↓

Analogs

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Popular Name: (7R)-2-[cyclohexylmethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-[cyclohexylmethyl(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) 4.52 7.62 -6.19 1 3 0 36 308.491 3 ↓
Mid Mid (pH 6-8) 4.52 8.02 -25.46 2 3 1 38 309.499 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[cyclohexylmethyl(methyl)amino]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-[cyclohexylmethyl(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) 4.52 7.19 -6.26 1 3 0 36 308.491 3 ↓
Mid Mid (pH 6-8) 4.52 7.59 -25.13 2 3 1 38 309.499 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[cyclohexylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[cyclohexylmethyl(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) 3.63 6.7 -6.95 1 3 0 36 280.437 3 ↓
Lo Low (pH 4.5-6) 3.63 7.11 -25.53 2 3 1 38 281.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[cyclohexylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-[cyclohexylmethyl(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) 3.63 6.7 -6.83 1 3 0 36 280.437 3 ↓
Lo Low (pH 4.5-6) 3.63 7.11 -25.65 2 3 1 38 281.445 3 ↓

Parameters Provided:

ring.id = 158415
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 = 158415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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