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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: (8S)-2-amino-8-(3,4-dimethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-(3,4-dimethylphen…

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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) 2.36 4.6 -9.04 3 4 0 68 287.388 1 ↓
Lo Low (pH 4.5-6) 2.36 5.03 -37.82 4 4 1 69 288.396 1 ↓

Analogs

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Popular Name: (8R)-2-amino-8-(3,4-dimethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-amino-8-(3,4-dimethylphen…

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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) 2.36 4.6 -9.04 3 4 0 68 287.388 1 ↓
Lo Low (pH 4.5-6) 2.36 5.02 -37.8 4 4 1 69 288.396 1 ↓

Analogs

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Popular Name: (8S)-2-(dimethylamino)-8-(5-isopropyl-2-methoxy-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-on (8S)-2-(dimethylamino)-8-(5-isop…

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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) 3.65 7.38 -10.76 1 5 0 54 359.495 4 ↓
Lo Low (pH 4.5-6) 3.65 7.76 -35.11 2 5 1 56 360.503 4 ↓

Analogs

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Popular Name: (8R)-2-(dimethylamino)-8-(5-isopropyl-2-methoxy-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-on (8R)-2-(dimethylamino)-8-(5-isop…

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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) 3.65 7.38 -10.74 1 5 0 54 359.495 4 ↓
Lo Low (pH 4.5-6) 3.65 7.76 -34.99 2 5 1 56 360.503 4 ↓

Analogs

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Popular Name: (8S)-2-amino-8-(2,4-dimethoxy-3-methyl-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-(2,4-dimethoxy-3-…

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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) 1.95 2.84 -11.73 3 6 0 86 333.413 3 ↓
Lo Low (pH 4.5-6) 1.95 3.26 -43.01 4 6 1 88 334.421 3 ↓

Analogs

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Popular Name: (8R)-2-amino-8-(2,4-dimethoxy-3-methyl-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-amino-8-(2,4-dimethoxy-3-…

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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) 1.95 2.89 -11.3 3 6 0 86 333.413 3 ↓
Lo Low (pH 4.5-6) 1.95 3.31 -40.6 4 6 1 88 334.421 3 ↓

Analogs

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Popular Name: (8S)-2-amino-8-(4-methoxy-2,5-dimethyl-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-(4-methoxy-2,5-di…

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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) 2.34 3.94 -10.14 3 5 0 77 317.414 2 ↓
Lo Low (pH 4.5-6) 2.34 4.36 -39.64 4 5 1 78 318.422 2 ↓

Analogs

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Popular Name: (8R)-2-amino-8-(4-methoxy-2,5-dimethyl-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-amino-8-(4-methoxy-2,5-di…

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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) 2.34 3.97 -9.96 3 5 0 77 317.414 2 ↓
Lo Low (pH 4.5-6) 2.34 4.39 -39.59 4 5 1 78 318.422 2 ↓

Analogs

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Popular Name: (8S)-8-(4-allyloxy-3-chloro-5-methoxy-phenyl)-2-amino-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-8-(4-allyloxy-3-chloro-5-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) 2.62 4.74 -11.73 3 6 0 86 379.869 5 ↓
Lo Low (pH 4.5-6) 2.62 5.17 -42.79 4 6 1 88 380.877 5 ↓

Analogs

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Popular Name: (8R)-8-(4-allyloxy-3-chloro-5-methoxy-phenyl)-2-amino-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-8-(4-allyloxy-3-chloro-5-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) 2.62 4.74 -11.75 3 6 0 86 379.869 5 ↓
Lo Low (pH 4.5-6) 2.62 5.17 -43.59 4 6 1 88 380.877 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-(4-allyloxy-3-methoxy-phenyl)-2-(dimethylamino)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-8-(4-allyloxy-3-methoxy-phe…

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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) 2.44 6.76 -12.67 1 6 0 64 373.478 6 ↓
Lo Low (pH 4.5-6) 2.44 7.16 -39.95 2 6 1 65 374.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-(4-allyloxy-3-methoxy-phenyl)-2-(dimethylamino)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-8-(4-allyloxy-3-methoxy-phe…

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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) 2.44 6.76 -12.71 1 6 0 64 373.478 6 ↓
Lo Low (pH 4.5-6) 2.44 7.17 -40.2 2 6 1 65 374.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-2-(dimethylamino)-8-(2,4,5-trimethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-(dimethylamino)-8-(2,4,5-…

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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) 3.35 7.83 -9.2 1 4 0 45 329.469 2 ↓
Lo Low (pH 4.5-6) 3.35 8.25 -34.29 2 4 1 46 330.477 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-(dimethylamino)-8-(2,4,5-trimethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-(dimethylamino)-8-(2,4,5-…

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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) 3.35 7.8 -9.37 1 4 0 45 329.469 2 ↓
Lo Low (pH 4.5-6) 3.35 8.22 -34.22 2 4 1 46 330.477 2 ↓

Analogs

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Popular Name: (8S)-2-(dimethylamino)-8-(3-ethoxyphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-(dimethylamino)-8-(3-etho…

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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) 2.56 6.28 -10.81 1 5 0 54 331.441 4 ↓
Lo Low (pH 4.5-6) 2.56 6.66 -36.22 2 5 1 56 332.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-(dimethylamino)-8-(3-ethoxyphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-(dimethylamino)-8-(3-etho…

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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) 2.56 6.28 -10.8 1 5 0 54 331.441 4 ↓
Lo Low (pH 4.5-6) 2.56 6.66 -36.18 2 5 1 56 332.449 4 ↓

Analogs

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Popular Name: (8S)-2-(dimethylamino)-8-(2-ethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-(dimethylamino)-8-(2-ethy…

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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) 3.02 7.35 -8.81 1 4 0 45 315.442 3 ↓
Lo Low (pH 4.5-6) 3.02 7.68 -34.09 2 4 1 46 316.45 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-(dimethylamino)-8-(2-ethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-(dimethylamino)-8-(2-ethy…

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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) 3.02 7.25 -8.94 1 4 0 45 315.442 3 ↓
Lo Low (pH 4.5-6) 3.02 7.58 -34.03 2 4 1 46 316.45 3 ↓

Analogs

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Popular Name: (8S)-2-amino-8-[3-(diethylaminomethyl)-4-methoxy-phenyl]-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-o (8S)-2-amino-8-[3-(diethylaminom…

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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 6.02 -38.71 4 6 1 82 375.518 6 ↓
Lo Low (pH 4.5-6) 2.07 6.26 -80.38 5 6 2 83 376.526 6 ↓

Analogs

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Popular Name: (8R)-2-amino-8-[3-(diethylaminomethyl)-4-methoxy-phenyl]-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-o (8R)-2-amino-8-[3-(diethylaminom…

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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 6.02 -39.37 4 6 1 82 375.518 6 ↓
Lo Low (pH 4.5-6) 2.07 6.26 -83.68 5 6 2 83 376.526 6 ↓

Analogs

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Popular Name: 4-[(8S)-2-(dimethylamino)-6-oxo-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-8-yl]benzoic 4-[(8S)-2-(dimethylamino)-6-oxo-…

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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) 2.06 6.63 -54.15 1 6 -1 85 330.389 3 ↓
Lo Low (pH 4.5-6) 2.06 7.02 -69.26 2 6 0 87 331.397 3 ↓

Analogs

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Popular Name: 4-[(8R)-2-(dimethylamino)-6-oxo-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-8-yl]benzoic 4-[(8R)-2-(dimethylamino)-6-oxo-…

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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) 2.06 6.63 -54.13 1 6 -1 85 330.389 3 ↓
Lo Low (pH 4.5-6) 2.06 7.02 -69.31 2 6 0 87 331.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-2-amino-8-(2-ethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-(2-ethylphenyl)-4…

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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) 2.40 4.61 -8.7 3 4 0 68 287.388 2 ↓
Lo Low (pH 4.5-6) 2.40 5.03 -37.72 4 4 1 69 288.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-2-amino-8-(2-ethylphenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8R)-2-amino-8-(2-ethylphenyl)-4…

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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) 2.40 4.51 -8.77 3 4 0 68 287.388 2 ↓
Lo Low (pH 4.5-6) 2.40 4.93 -37.73 4 4 1 69 288.396 2 ↓

Parameters Provided:

ring.id = 397210
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 397210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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