UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10067006
10067006

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Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)tetralin-6-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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) 4.47 12.16 -51.99 1 6 1 56 440.589 7 ↓
Hi High (pH 8-9.5) 4.47 9.67 -11.31 0 6 0 55 439.581 7 ↓

Analogs

36707967
36707967
5115169
5115169

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Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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) 6.00 14.64 -48.04 1 5 1 47 452.644 9 ↓
Hi High (pH 8-9.5) 6.00 12.23 -9.13 0 5 0 46 451.636 9 ↓

Analogs

36710288
36710288
10461289
10461289

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Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)tetralin-6-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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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) 6.25 14.96 -46.68 1 4 1 38 443.036 7 ↓
Hi High (pH 8-9.5) 6.25 12.53 -6.81 0 4 0 36 442.028 7 ↓

Analogs

10065683
10065683

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Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)tetralin-6-carboxamide N-(6-bromo-1,3-benzothiazol-2-yl…

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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) 6.38 15.06 -46.62 1 4 1 38 487.487 7 ↓
Hi High (pH 8-9.5) 6.38 12.63 -6.65 0 4 0 36 486.479 7 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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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) 6.49 15.58 -46.19 1 4 1 38 436.645 8 ↓
Hi High (pH 8-9.5) 6.49 13.42 -8.72 0 4 0 36 435.637 8 ↓

Analogs

36707733
36707733
5115615
5115615

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Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(4-eth…

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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) 5.98 14.8 -58.38 1 5 1 47 452.644 9 ↓
Hi High (pH 8-9.5) 5.98 12.77 -18.02 0 5 0 46 451.636 9 ↓

Analogs

10065917
10065917

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)tetralin-6-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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) 6.23 14.9 -43.91 1 4 1 38 443.036 7 ↓
Hi High (pH 8-9.5) 6.23 12.55 -8.87 0 4 0 36 442.028 7 ↓

Analogs

10066143
10066143

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Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(4,5-d…

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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) 6.40 15.84 -54.18 1 4 1 38 436.645 7 ↓
Hi High (pH 8-9.5) 6.40 13.49 -13.02 0 4 0 36 435.637 7 ↓

Analogs

36710506
36710506
10066179
10066179

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Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 6.40 15.95 -53.91 1 4 1 38 436.645 7 ↓
Hi High (pH 8-9.5) 6.40 13.59 -12.69 0 4 0 36 435.637 7 ↓

Analogs

10066216
10066216
7348975
7348975

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Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-(2-diethylaminoethyl)-N-(5,7-d…

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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) 6.40 15.74 -45.69 1 4 1 38 436.645 7 ↓
Hi High (pH 8-9.5) 6.40 13.32 -9.09 0 4 0 36 435.637 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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) 5.15 13.2 -52.24 1 5 1 47 424.59 7 ↓

Analogs

4359542
4359542

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Popular Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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) 6.01 15.3 -50.07 1 4 1 38 422.618 7 ↓

Analogs

36707771
36707771
4224204
4224204

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Popular Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]tetralin-6-carboxamide N-(4-chloro-1,3-benzothiazol-2-y…

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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) 5.74 14.36 -48.75 1 4 1 38 429.009 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]tetralin-6-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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) 4.74 13.09 -53.8 1 6 1 56 454.616 8 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-[3-(dimethylamino)propyl]-N-(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) 5.92 15.32 -58.82 1 4 1 38 422.618 6 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide N-[3-(dimethylamino)propyl]-N-(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) 5.92 15.21 -50.66 1 4 1 38 422.618 6 ↓

Parameters Provided:

ring.id = 103248
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 = 103248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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