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Analogs

8744399
8744399

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Popular Name: N-(1,3-benzothiazol-2-yl)-2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)acetamide N-(1,3-benzothiazol-2-yl)-2-(ben…

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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) 2.99 9.85 -65.01 1 7 1 68 381.485 6 ↓
Hi High (pH 8-9.5) 2.99 7.38 -19.94 0 7 0 67 380.477 6 ↓

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)acetamide N-(1,3-benzothiazol-2-yl)-2-(ben…

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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) 3.74 10.91 -40.17 1 7 1 68 409.539 8 ↓
Hi High (pH 8-9.5) 3.74 8.78 -14.21 0 7 0 67 408.531 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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 9.14 -67.07 1 8 1 78 411.511 7 ↓
Hi High (pH 8-9.5) 3.02 6.67 -20.05 0 8 0 76 410.503 7 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 3.78 10.48 -64.62 1 8 1 78 439.565 9 ↓
Hi High (pH 8-9.5) 3.78 8.38 -19.27 0 8 0 76 438.557 9 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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) 3.40 10.06 -67.71 1 8 1 78 425.538 8 ↓
Hi High (pH 8-9.5) 3.40 7.6 -19.93 0 8 0 76 424.53 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 4.15 11.42 -64.41 1 8 1 78 453.592 10 ↓
Hi High (pH 8-9.5) 4.15 9.25 -19.68 0 8 0 76 452.584 10 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(6-chlor…

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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) 3.64 10.36 -66.54 1 7 1 68 415.93 6 ↓
Hi High (pH 8-9.5) 3.64 7.9 -17.78 0 7 0 67 414.922 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(6-chlor…

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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) 4.40 11.72 -63.3 1 7 1 68 443.984 8 ↓
Hi High (pH 8-9.5) 4.40 9.56 -17.48 0 7 0 67 442.976 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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) 3.13 9.91 -67.17 1 7 1 68 399.475 6 ↓
Hi High (pH 8-9.5) 3.13 7.45 -18.11 0 7 0 67 398.467 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 3.88 11.28 -63.95 1 7 1 68 427.529 8 ↓
Hi High (pH 8-9.5) 3.88 9.12 -17.77 0 7 0 67 426.521 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(6-bromo…

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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) 3.78 10.45 -66.53 1 7 1 68 460.381 6 ↓
Hi High (pH 8-9.5) 3.78 7.99 -17.72 0 7 0 67 459.373 6 ↓

Analogs

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

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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) 4.53 11.81 -63.43 1 7 1 68 488.435 8 ↓
Hi High (pH 8-9.5) 4.53 9.65 -17.34 0 7 0 67 487.427 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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) 3.38 10.28 -75.62 1 8 1 78 425.538 8 ↓
Hi High (pH 8-9.5) 3.38 7.81 -27.27 0 8 0 76 424.53 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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 11.64 -72.45 1 8 1 78 453.592 10 ↓
Hi High (pH 8-9.5) 4.13 9.54 -26.44 0 8 0 76 452.584 10 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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) 3.11 9.92 -63.6 1 7 1 68 399.475 6 ↓
Hi High (pH 8-9.5) 3.11 7.45 -20.46 0 7 0 67 398.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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 10.98 -40 1 7 1 68 427.529 8 ↓
Hi High (pH 8-9.5) 3.86 8.85 -16.39 0 7 0 67 426.521 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(4,6-dif…

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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) 3.22 9.99 -63.47 1 7 1 68 417.465 6 ↓
Hi High (pH 8-9.5) 3.22 7.52 -17.56 0 7 0 67 416.457 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 3.98 11.35 -60.89 1 7 1 68 445.519 8 ↓
Hi High (pH 8-9.5) 3.98 9.18 -17.27 0 7 0 67 444.511 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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 11.15 -64.55 1 7 1 68 409.539 6 ↓
Hi High (pH 8-9.5) 3.79 8.69 -19.8 0 7 0 67 408.531 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 4.54 12.5 -61.89 1 7 1 68 437.593 8 ↓
Hi High (pH 8-9.5) 4.54 10.34 -19.39 0 7 0 67 436.585 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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 11.43 -70.92 1 7 1 68 409.539 6 ↓
Hi High (pH 8-9.5) 3.79 8.97 -22.64 0 7 0 67 408.531 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 4.54 12.8 -68.48 1 7 1 68 437.593 8 ↓
Hi High (pH 8-9.5) 4.54 10.69 -21.93 0 7 0 67 436.585 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(4,7-dim…

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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) 3.01 8.4 -67.98 1 9 1 87 441.537 8 ↓
Hi High (pH 8-9.5) 3.01 5.93 -24.3 0 9 0 86 440.529 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 3.76 9.72 -64.71 1 9 1 87 469.591 10 ↓
Hi High (pH 8-9.5) 3.76 7.6 -23.93 0 9 0 86 468.583 10 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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) 3.40 9.78 -64.46 1 8 1 78 425.538 7 ↓
Hi High (pH 8-9.5) 3.40 7.32 -21.88 0 8 0 76 424.53 7 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 4.15 11.14 -61.57 1 8 1 78 453.592 9 ↓
Hi High (pH 8-9.5) 4.15 9.03 -21.02 0 8 0 76 452.584 9 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(7-chlor…

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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) 4.02 11.29 -70.56 1 7 1 68 429.957 6 ↓
Hi High (pH 8-9.5) 4.02 8.82 -21.7 0 7 0 67 428.949 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(7-chlor…

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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) 4.77 13.01 -43.4 1 7 1 68 458.011 8 ↓
Hi High (pH 8-9.5) 4.77 10.48 -21.39 0 7 0 67 457.003 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dimet…

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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 11.33 -71.27 1 7 1 68 409.539 6 ↓
Hi High (pH 8-9.5) 3.79 8.86 -23.1 0 7 0 67 408.531 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide 2-(benzotriazol-1-yl)-N-(2-dieth…

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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) 4.54 12.69 -68.75 1 7 1 68 437.593 8 ↓
Hi High (pH 8-9.5) 4.54 10.6 -22.3 0 7 0 67 436.585 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(5-chlor…

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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) 4.02 11.21 -72.83 1 7 1 68 429.957 6 ↓
Hi High (pH 8-9.5) 4.02 8.74 -22.01 0 7 0 67 428.949 6 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(5-chlor…

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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) 4.77 12.58 -70.47 1 7 1 68 458.011 8 ↓
Hi High (pH 8-9.5) 4.77 10.41 -21.72 0 7 0 67 457.003 8 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(7-chlor…

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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 9.86 -73.16 1 8 1 78 445.956 7 ↓
Hi High (pH 8-9.5) 3.63 7.38 -25.2 0 8 0 76 444.948 7 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)acetamide 2-(benzotriazol-1-yl)-N-(7-chlor…

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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) 4.38 11.2 -70.74 1 8 1 78 474.01 9 ↓
Hi High (pH 8-9.5) 4.38 9.05 -24.93 0 8 0 76 473.002 9 ↓

Parameters Provided:

ring.id = 107894
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 = 107894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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