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Analogs

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Popular Name: 2,4-dimethoxy-N-(methylBLAHyl)-benzenesulfonamide 2,4-dimethoxy-N-(methylBLAHyl)-b…

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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) 3.45 -4.38 -15.53 1 6 0 77 416.524 5 ↓
Hi High (pH 8-9.5) 3.45 -3.81 -56.76 0 6 -1 79 415.516 5 ↓

Analogs

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Popular Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile 2-(7-methoxy-4,5-dihydrobenzo[e]…

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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) 2.68 6.95 -12.78 0 3 0 46 256.33 2 ↓

Analogs

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Popular Name: 2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ethanamine 2-(7-methoxy-4,5-dihydrobenzo[e]…

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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) 1.70 4.55 -52.6 3 3 1 50 261.37 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(2-thienyl)acetamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 3.96 9.81 -20.51 1 3 0 42 326.446 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 5.26 12.43 -19.98 1 3 0 42 362.498 3 ↓

Analogs

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Popular Name: (3R)-1-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)piperidine-3-carboxamide (3R)-1-(benzenesulfonyl)-N-(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) 3.97 9.87 -22.91 1 6 0 79 453.589 4 ↓

Analogs

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Popular Name: (3S)-1-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)piperidine-3-carboxamide (3S)-1-(benzenesulfonyl)-N-(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) 3.97 9.86 -21.18 1 6 0 79 453.589 4 ↓

Analogs

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Popular Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)piperidine-3-carboxamid (3R)-1-(4-chlorophenyl)sulfonyl-…

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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) 4.64 10.37 -21.55 1 6 0 79 488.034 4 ↓

Analogs

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Popular Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)piperidine-3-carboxamid (3S)-1-(4-chlorophenyl)sulfonyl-…

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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) 4.64 10.38 -19.92 1 6 0 79 488.034 4 ↓

Analogs

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Popular Name: (3R)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxami (3R)-N-(4,5-dihydrobenzo[e][1,3]…

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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) 4.13 9.92 -21.8 1 6 0 79 471.579 4 ↓

Analogs

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Popular Name: (3S)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxami (3S)-N-(4,5-dihydrobenzo[e][1,3]…

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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) 4.13 9.93 -20.19 1 6 0 79 471.579 4 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-methyl-imidazole-4-sulfonamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 2.19 7.27 -51.61 1 6 0 80 346.437 3 ↓
Mid Mid (pH 6-8) 3.11 7.57 -38.61 2 6 1 81 347.445 2 ↓

Analogs

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Popular Name: 2-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrobenzo[e][1,3]benzothiazole 2-[(4-phenylpiperazin-1-yl)methy…

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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) 4.08 10.23 -8.76 0 3 0 19 361.514 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.86 8.91 -8.88 0 3 0 39 287.384 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.92 7.27 -9.85 0 4 0 48 289.356 4 ↓

Analogs

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Popular Name: methyl 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) 2.76 7.12 -12.6 0 4 0 48 289.356 4 ↓

Analogs

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Popular Name: methyl 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) 3.70 8.76 -12.01 0 3 0 39 287.384 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2,5-dimethyl-furan-3-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 3.36 9.63 -15.29 1 4 0 55 324.405 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1H-indole-3-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 4.12 10.03 -23.94 2 4 0 58 345.427 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methyl-thiadiazole-5-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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 7.2 -13.01 1 5 0 68 328.422 2 ↓
Hi High (pH 8-9.5) 3.09 5.45 -43.92 0 5 -1 74 327.414 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-phenyl-isoxazole-3-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 4.61 10.64 -13.29 1 5 0 68 373.437 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methoxy-1-methyl-pyrazole-4-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 2.52 6.07 -26.37 1 6 0 69 340.408 3 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 3.79 10.87 -18.78 1 5 0 59 360.442 2 ↓
Hi High (pH 8-9.5) 3.86 9.02 -61.72 0 5 -1 66 359.434 2 ↓
Lo Low (pH 4.5-6) 3.79 11.31 -38.36 2 5 1 61 361.45 2 ↓

Analogs

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Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…

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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) 2.00 7.14 -15.22 1 7 0 86 382.445 5 ↓

Parameters Provided:

ring.id = 6035
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 = 6035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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