UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11998303
11998303

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Popular Name: (2S)-5-[(E)-3-(2-furyl)prop-2-enyl]-2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one (2S)-5-[(E)-3-(2-furyl)prop-2-en…

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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) 4.23 2.32 -12.14 0 4 0 43 391.492 5 ↓

Analogs

11998302
11998302

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Popular Name: (2R)-5-[(E)-3-(2-furyl)prop-2-enyl]-2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one (2R)-5-[(E)-3-(2-furyl)prop-2-en…

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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) 4.23 2.22 -12.74 0 4 0 43 391.492 5 ↓

Analogs

12000628
12000628

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Popular Name: (2S)-2-(2,4-dimethoxyphenyl)-8-methoxy-5-(m-tolylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one (2S)-2-(2,4-dimethoxyphenyl)-8-m…

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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) 4.69 1.78 -10.88 0 5 0 48 449.572 6 ↓

Analogs

12000622
12000622

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Popular Name: (2R)-2-(2,4-dimethoxyphenyl)-8-methoxy-5-(m-tolylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one (2R)-2-(2,4-dimethoxyphenyl)-8-m…

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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) 4.69 1.73 -11.54 0 5 0 48 449.572 6 ↓

Analogs

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Popular Name: N-[4-methoxy-3-(4-methoxyphenyl)-phenyl]-5-oxo-2-thia-6-azabicyclo[5.4.0]undeca-8,10,12-triene-9-car N-[4-methoxy-3-(4-methoxyphenyl)…

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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) 4.34 8.27 -18.47 2 6 0 77 434.517 5 ↓

Analogs

25377848
25377848
25440110
25440110
25447347
25447347
25756423
25756423

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Popular Name: N-(4-methylsulfanylphenyl)-5-oxo-2-thia-6-azabicyclo[5.4.0]undeca-8,10,12-triene-9-carboxamide N-(4-methylsulfanylphenyl)-5-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) 2.93 6.92 -15.07 2 4 0 58 344.461 3 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino] N-[2-(1-cyclohexenyl)ethyl]-2-[m…

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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) 2.91 5.39 -23.73 2 7 0 96 437.587 7 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]acetamid N-(4-methoxyphenyl)-2-[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) 2.15 3.65 -19.58 2 8 0 105 435.527 6 ↓

Analogs

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Popular Name: N-cycloheptyl-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]acetamide N-cycloheptyl-2-[methyl-[(4-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) 2.94 4.55 -16.69 2 7 0 96 425.576 5 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]acetamide N-(3-fluorophenyl)-2-[methyl-[(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) 2.23 4.4 -21.18 2 7 0 96 423.491 5 ↓

Analogs

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Popular Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]-N-(p-tolylmethyl)acetamide 2-[methyl-[(4-oxo-3,5-dihydro-2H…

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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) 2.38 5.1 -16.18 2 7 0 96 433.555 6 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-su N-methyl-N-[2-[(3R)-3-methyl-1-p…

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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) 1.42 5.16 -15.32 1 7 0 87 411.549 4 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-su N-methyl-N-[2-[(3S)-3-methyl-1-p…

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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) 1.42 5.16 -14.93 1 7 0 87 411.549 4 ↓

Analogs

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Popular Name: N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-s N-[2-(4-cyclohexylpiperazin-1-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) 2.07 5.12 -14.68 1 8 0 90 480.656 5 ↓
Mid Mid (pH 6-8) 2.07 7.34 -54.43 2 8 1 91 481.664 5 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]aceta N-(2,4-dimethylphenyl)-2-[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) 2.92 5.79 -18.12 2 7 0 96 433.555 5 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]aceta N-(3,4-dimethylphenyl)-2-[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) 2.92 5.65 -18.18 2 7 0 96 433.555 5 ↓

Analogs

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Popular Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]-N-phenethyl-acetamide 2-[methyl-[(4-oxo-3,5-dihydro-2H…

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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) 2.33 5.21 -18.76 2 7 0 96 433.555 7 ↓

Analogs

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Popular Name: 2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]-N-[2-(p-tolyl)ethyl]acetami 2-[methyl-[(4-oxo-3,5-dihydro-2H…

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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) 2.78 5.89 -18.83 2 7 0 96 447.582 7 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]a N-[(4-fluorophenyl)methyl]-2-[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) 2.09 4.48 -17.34 2 7 0 96 437.518 6 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino]acetamide N-(3-ethylphenyl)-2-[methyl-[(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) 2.99 5.78 -17.82 2 7 0 96 433.555 6 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino N-(3-fluoro-4-methyl-phenyl)-2-[…

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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) 2.63 5.07 -21.27 2 7 0 96 437.518 5 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[methyl-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]amino N-(4-fluoro-2-methyl-phenyl)-2-[…

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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) 2.63 5.23 -19.72 2 7 0 96 437.518 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(2-furyl)-2-(1-piperidyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(2R)-2-(2-furyl)-2-(1-piperid…

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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) 2.58 8.37 -51.3 3 6 1 76 400.524 5 ↓
Hi High (pH 8-9.5) 2.58 6.35 -12.35 2 6 0 75 399.516 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(2S)-2-(2-furyl)-2-(1-piperid…

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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) 2.58 8.05 -58.19 3 6 1 76 400.524 5 ↓
Hi High (pH 8-9.5) 2.58 5.96 -15.39 2 6 0 75 399.516 5 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxam N-[(2R)-2-dimethylamino-2-(3-flu…

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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 8.03 -57.74 3 5 1 63 388.488 5 ↓
Hi High (pH 8-9.5) 2.56 5.93 -18.42 2 5 0 61 387.48 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxam N-[(2S)-2-dimethylamino-2-(3-flu…

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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 8.21 -65.06 3 5 1 63 388.488 5 ↓
Hi High (pH 8-9.5) 2.56 5.73 -14.24 2 5 0 61 387.48 5 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxami N-[(2S)-2-dimethylamino-2-(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) 3.33 9.53 -61.32 3 5 1 63 398.552 6 ↓
Hi High (pH 8-9.5) 3.33 7.06 -13.48 2 5 0 61 397.544 6 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxami N-[(2R)-2-dimethylamino-2-(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) 3.33 9.89 -58.29 3 5 1 63 398.552 6 ↓
Hi High (pH 8-9.5) 3.33 7.63 -14.5 2 5 0 61 397.544 6 ↓

Analogs

23543944
23543944
23543947
23543947
36666522
36666522
36666523
36666523

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Popular Name: 4-oxo-N-[(1R)-1-phenylethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-[(1R)-1-phenylethyl]-3,5…

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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) 2.76 6.83 -14.38 2 4 0 58 326.421 3 ↓

Analogs

36666522
36666522
36666523
36666523

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Popular Name: 4-oxo-N-[(1S)-1-phenylethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-[(1S)-1-phenylethyl]-3,5…

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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) 2.76 6.83 -14.49 2 4 0 58 326.421 3 ↓

Analogs

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Popular Name: N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[[(2S)-4-isobutylmorpholin-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) 1.79 4.02 -13.58 2 6 0 71 377.51 5 ↓
Mid Mid (pH 6-8) 1.79 6.08 -52.71 3 6 1 72 378.518 5 ↓

Analogs

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Popular Name: N-[[(2R)-4-isobutylmorpholin-2-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[[(2R)-4-isobutylmorpholin-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) 1.79 3.96 -13.87 2 6 0 71 377.51 5 ↓
Mid Mid (pH 6-8) 1.79 6.03 -53.05 3 6 1 72 378.518 5 ↓

Analogs

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Popular Name: 1-benzyl-3-[(4-oxo3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea 1-benzyl-3-[(4-oxo3,5-dihydro-2H…

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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) 2.15 7.08 -19.41 4 6 0 82 386.502 6 ↓

Analogs

42674206
42674206
42674207
42674207

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxam N-[(2R)-2-diethylamino-2-(3-meth…

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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) 3.20 8.67 -56.39 3 6 1 72 428.578 8 ↓

Analogs

42674206
42674206
42674207
42674207

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Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxam N-[(2S)-2-diethylamino-2-(3-meth…

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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) 3.20 8.5 -53.45 3 6 1 72 428.578 8 ↓

Analogs

25374793
25374793
25440176
25440176
25441225
25441225
25454074
25454074

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Popular Name: 4-oxo-N,N-dipropyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N,N-dipropyl-3,5-dihydro-2…

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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) 2.33 7.06 -11.95 1 4 0 49 306.431 5 ↓

Analogs

25452826
25452826
25449678
25449678
25448703
25448703

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Popular Name: N-[(2-hydroxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(2-hydroxyphenyl)methyl]-N-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) 1.92 6.46 -14.54 2 5 0 70 342.42 3 ↓

Analogs

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Popular Name: 7-(indoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one 7-(indoline-1-carbonyl)-3,5-dihy…

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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) 2.74 7.57 -16.77 1 4 0 49 324.405 1 ↓

Analogs

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Popular Name: 4-oxo-N-(2-pyrrolidin-1-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-(2-pyrrolidin-1-ylphenyl…

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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) 2.96 6.97 -13.39 2 5 0 61 367.474 3 ↓

Analogs

37104744
37104744

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Popular Name: N-benzyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-benzyl-4-oxo-N-propyl-3,5-dihy…

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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) 2.85 9.08 -12.2 1 4 0 49 354.475 5 ↓

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-phenyl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(2R)-2-diethylamino-2-phenyl-…

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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) 3.17 9.01 -54.49 3 5 1 63 398.552 7 ↓

Analogs

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Popular Name: N-[(2S)-2-diethylamino-2-phenyl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(2S)-2-diethylamino-2-phenyl-…

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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) 3.17 9.09 -53.6 3 5 1 63 398.552 7 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-(2-acetamidoethyl)-4-oxo-3,5-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) -0.05 1.29 -20.04 3 6 0 87 307.375 4 ↓

Analogs

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Popular Name: 7-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one 7-[4-(pyrrolidine-1-carbonyl)pip…

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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) 1.10 7.03 -20.55 1 6 0 70 387.505 2 ↓

Analogs

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Popular Name: 4-oxo-N-[4-(trifluoromethyl)cyclohexyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-[4-(trifluoromethyl)cycl…

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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) 3.03 6.64 -17.17 2 4 0 58 372.412 3 ↓

Analogs

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Popular Name: N-[(3,4-difluorophenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-[(3,4-difluorophenyl)methyl]-N…

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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) 2.23 7.89 -17.59 1 4 0 49 362.401 3 ↓

Analogs

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Popular Name: N-(4-diethylaminophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide N-(4-diethylaminophenyl)-4-oxo-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) 3.36 8.13 -16.02 2 5 0 61 369.49 5 ↓

Analogs

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Popular Name: N-[(4S)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7 N-[(4S)-4-methyl-2,5-dioxo-4-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) 1.38 6.39 -25.55 3 8 0 108 438.509 5 ↓
Hi High (pH 8-9.5) 2.46 5.76 -57.59 2 8 -1 114 437.501 5 ↓

Analogs

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Popular Name: N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7 N-[(4R)-4-methyl-2,5-dioxo-4-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) 1.38 6.37 -25.5 3 8 0 108 438.509 5 ↓
Hi High (pH 8-9.5) 2.46 5.74 -57.44 2 8 -1 114 437.501 5 ↓

Analogs

22745089
22745089
25454074
25454074
25453454
25453454

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Popular Name: 4-oxo-N-propyl-N-(p-tolylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide 4-oxo-N-propyl-N-(p-tolylmethyl)…

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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) 3.30 9.98 -12.55 1 4 0 49 368.502 5 ↓

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