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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

41545519
41545519

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Popular Name: (2S)-N-(3-carbamoyl-5-ethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 1.55 3.46 -15.19 4 7 0 111 359.407 4 ↓
Hi High (pH 8-9.5) 1.73 0.78 -59.43 3 7 -1 117 358.399 4 ↓

Analogs

41545516
41545516

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Popular Name: (2R)-N-(3-carbamoyl-5-ethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 1.55 2.04 -13.68 4 7 0 111 359.407 4 ↓
Hi High (pH 8-9.5) 1.73 0.77 -50.28 3 7 -1 117 358.399 4 ↓

Analogs

41545526
41545526

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Popular Name: (2S)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.03 4.11 -15.18 4 7 0 111 373.434 4 ↓
Hi High (pH 8-9.5) 2.22 1.42 -59.73 3 7 -1 117 372.426 4 ↓

Analogs

41545522
41545522

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Popular Name: (2R)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.03 2.67 -13.74 4 7 0 111 373.434 4 ↓
Hi High (pH 8-9.5) 2.22 1.41 -50.54 3 7 -1 117 372.426 4 ↓

Analogs

41545532
41545532

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Popular Name: (2S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-cyano-4,5-dimethyl-2-t…

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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) 2.29 6.56 -11.74 2 6 0 91 341.392 2 ↓
Hi High (pH 8-9.5) 2.47 3.74 -49.19 1 6 -1 98 340.384 2 ↓

Analogs

41545529
41545529

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Popular Name: (2R)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-cyano-4,5-dimethyl-2-t…

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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) 2.29 5.13 -10.63 2 6 0 91 341.392 2 ↓
Hi High (pH 8-9.5) 2.47 3.76 -41.24 1 6 -1 98 340.384 2 ↓

Analogs

41545537
41545537

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Popular Name: (2S)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-4,5-dimethyl…

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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) 1.35 2.83 -16.55 4 7 0 111 359.407 3 ↓
Hi High (pH 8-9.5) 1.54 0.01 -56.19 3 7 -1 117 358.399 3 ↓

Analogs

41545534
41545534

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Popular Name: (2R)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-4,5-dimethyl…

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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) 1.35 1.41 -15.36 4 7 0 111 359.407 3 ↓
Hi High (pH 8-9.5) 1.54 0.01 -47.96 3 7 -1 117 358.399 3 ↓

Analogs

41545567
41545567

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Popular Name: (2S)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-cyano-4-ethyl-5-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) 2.75 7.3 -11.8 2 6 0 91 355.419 3 ↓
Hi High (pH 8-9.5) 2.94 4.49 -49.48 1 6 -1 98 354.411 3 ↓

Analogs

41545564
41545564

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Popular Name: (2R)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-cyano-4-ethyl-5-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) 2.75 5.87 -10.64 2 6 0 91 355.419 3 ↓
Hi High (pH 8-9.5) 2.94 4.5 -41.58 1 6 -1 98 354.411 3 ↓

Analogs

41545681
41545681

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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) 2.37 6.91 -14.63 2 7 0 94 374.418 4 ↓
Hi High (pH 8-9.5) 2.55 4.09 -55.98 1 7 -1 100 373.41 4 ↓

Analogs

41545678
41545678

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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) 2.37 5.49 -13.39 2 7 0 94 374.418 4 ↓
Hi High (pH 8-9.5) 2.55 4.1 -47.47 1 7 -1 100 373.41 4 ↓

Analogs

41545687
41545687

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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) 2.56 7.26 -12.33 2 7 0 94 374.418 5 ↓
Hi High (pH 8-9.5) 2.75 4.61 -54.77 1 7 -1 100 373.41 5 ↓

Analogs

41545684
41545684

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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) 2.56 5.83 -10.98 2 7 0 94 374.418 5 ↓
Hi High (pH 8-9.5) 2.75 4.62 -46.23 1 7 -1 100 373.41 5 ↓

Analogs

41547152
41547152

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Popular Name: (2S)-N-(3-carbamoyl-5-ethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 1.97 4.13 -14.66 4 7 0 111 373.434 4 ↓
Hi High (pH 8-9.5) 2.16 1.44 -58.76 3 7 -1 117 372.426 4 ↓

Analogs

41547149
41547149

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Popular Name: (2R)-N-(3-carbamoyl-5-ethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 1.97 2.7 -13.35 4 7 0 111 373.434 4 ↓
Hi High (pH 8-9.5) 2.16 1.44 -50.25 3 7 -1 117 372.426 4 ↓

Analogs

41547157
41547157

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Popular Name: (2S)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.46 4.78 -14.69 4 7 0 111 387.461 4 ↓
Hi High (pH 8-9.5) 2.64 2.09 -59.04 3 7 -1 117 386.453 4 ↓

Analogs

41547155
41547155

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Popular Name: (2R)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.46 3.34 -13.31 4 7 0 111 387.461 4 ↓
Hi High (pH 8-9.5) 2.64 2.1 -50.47 3 7 -1 117 386.453 4 ↓

Analogs

41547163
41547163

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Popular Name: (2S)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-cyano-4,5-dimethyl-2-t…

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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) 2.71 7.24 -11.33 2 6 0 91 355.419 2 ↓
Hi High (pH 8-9.5) 2.90 4.41 -48.53 1 6 -1 98 354.411 2 ↓

Analogs

41547160
41547160

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Popular Name: (2R)-N-(3-cyano-4,5-dimethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-cyano-4,5-dimethyl-2-t…

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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) 2.71 5.8 -10.33 2 6 0 91 355.419 2 ↓
Hi High (pH 8-9.5) 2.90 4.43 -41.11 1 6 -1 98 354.411 2 ↓

Analogs

41547169
41547169

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Popular Name: (2S)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-4,5-dimethyl…

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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) 1.78 3.52 -15.03 4 7 0 111 373.434 3 ↓
Hi High (pH 8-9.5) 1.96 0.68 -56.57 3 7 -1 117 372.426 3 ↓

Analogs

41547166
41547166

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Popular Name: (2R)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-4,5-dimethyl…

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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) 1.78 2.07 -13.86 4 7 0 111 373.434 3 ↓
Hi High (pH 8-9.5) 1.96 0.7 -46.98 3 7 -1 117 372.426 3 ↓

Analogs

41547198
41547198

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Popular Name: (2S)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-cyano-4-ethyl-5-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) 3.18 7.97 -11.28 2 6 0 91 369.446 3 ↓
Hi High (pH 8-9.5) 3.36 5.16 -48.89 1 6 -1 98 368.438 3 ↓

Analogs

41547195
41547195

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Popular Name: (2R)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-cyano-4-ethyl-5-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) 3.18 6.53 -10.34 2 6 0 91 369.446 3 ↓
Hi High (pH 8-9.5) 3.36 5.16 -41.48 1 6 -1 98 368.438 3 ↓

Analogs

41547307
41547307

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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) 2.79 7.61 -13.78 2 7 0 94 388.445 4 ↓
Hi High (pH 8-9.5) 2.98 4.76 -55.82 1 7 -1 100 387.437 4 ↓

Analogs

41547304
41547304

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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) 2.79 6.16 -12.27 2 7 0 94 388.445 4 ↓
Hi High (pH 8-9.5) 2.98 4.79 -46.91 1 7 -1 100 387.437 4 ↓

Analogs

41547313
41547313

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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) 2.99 7.93 -11.89 2 7 0 94 388.445 5 ↓
Hi High (pH 8-9.5) 3.17 5.28 -54.18 1 7 -1 100 387.437 5 ↓

Analogs

41547310
41547310

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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) 2.99 6.49 -10.56 2 7 0 94 388.445 5 ↓
Hi High (pH 8-9.5) 3.17 5.29 -46.16 1 7 -1 100 387.437 5 ↓

Analogs

41548722
41548722

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Popular Name: (2S)-N-(3-carbamoyl-5-ethyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 2.20 3.99 -13.46 4 7 0 111 393.852 4 ↓
Hi High (pH 8-9.5) 2.39 1.3 -54.47 3 7 -1 117 392.844 4 ↓

Analogs

41548720
41548720

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Popular Name: (2R)-N-(3-carbamoyl-5-ethyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-ethyl-2-th…

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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) 2.20 2.55 -11.84 4 7 0 111 393.852 4 ↓
Hi High (pH 8-9.5) 2.39 1.31 -45.95 3 7 -1 117 392.844 4 ↓

Analogs

41548730
41548730

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Popular Name: (2S)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.69 4.63 -13.45 4 7 0 111 407.879 4 ↓
Hi High (pH 8-9.5) 2.87 1.94 -54.68 3 7 -1 117 406.871 4 ↓

Analogs

41548728
41548728

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Popular Name: (2R)-N-(3-carbamoyl-5-isopropyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-5-isopropyl-…

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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) 2.69 3.18 -11.81 4 7 0 111 407.879 4 ↓
Hi High (pH 8-9.5) 2.87 1.94 -46.19 3 7 -1 117 406.871 4 ↓

Analogs

41548734
41548734

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Popular Name: (2S)-6-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(3-cyano-4,5-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) 2.94 7.08 -10.71 2 6 0 91 375.837 2 ↓
Hi High (pH 8-9.5) 3.13 4.27 -44.69 1 6 -1 98 374.829 2 ↓

Analogs

41548732
41548732

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Popular Name: (2R)-6-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(3-cyano-4,5-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) 2.94 5.64 -9.45 2 6 0 91 375.837 2 ↓
Hi High (pH 8-9.5) 3.13 4.28 -37.33 1 6 -1 98 374.829 2 ↓

Analogs

41548738
41548738

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Popular Name: (2S)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-carbamoyl-4,5-dimethyl…

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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) 2.01 3.35 -15.38 4 7 0 111 393.852 3 ↓
Hi High (pH 8-9.5) 2.19 0.53 -51.41 3 7 -1 117 392.844 3 ↓

Analogs

41548736
41548736

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Popular Name: (2R)-N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-carbamoyl-4,5-dimethyl…

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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) 2.01 1.92 -14.21 4 7 0 111 393.852 3 ↓
Hi High (pH 8-9.5) 2.19 0.53 -44.07 3 7 -1 117 392.844 3 ↓

Analogs

41548762
41548762

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Popular Name: (2S)-6-chloro-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(3-cyano-4-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) 3.41 7.82 -10.73 2 6 0 91 389.864 3 ↓
Hi High (pH 8-9.5) 3.59 5.02 -44.98 1 6 -1 98 388.856 3 ↓

Analogs

41548760
41548760

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Popular Name: (2R)-6-chloro-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(3-cyano-4-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) 3.41 6.38 -9.47 2 6 0 91 389.864 3 ↓
Hi High (pH 8-9.5) 3.59 5.02 -37.56 1 6 -1 98 388.856 3 ↓

Analogs

41548906
41548906

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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) 3.02 7.44 -13.54 2 7 0 94 408.863 4 ↓
Hi High (pH 8-9.5) 3.21 4.62 -51.17 1 7 -1 100 407.855 4 ↓

Analogs

41548904
41548904

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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) 3.02 6 -12.2 2 7 0 94 408.863 4 ↓
Hi High (pH 8-9.5) 3.21 4.62 -43.42 1 7 -1 100 407.855 4 ↓

Analogs

41548910
41548910

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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) 3.22 7.78 -10.85 2 7 0 94 408.863 5 ↓
Hi High (pH 8-9.5) 3.40 5.13 -50 1 7 -1 100 407.855 5 ↓

Analogs

41548908
41548908

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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) 3.22 6.34 -9.32 2 7 0 94 408.863 5 ↓
Hi High (pH 8-9.5) 3.40 5.14 -42.05 1 7 -1 100 407.855 5 ↓

Parameters Provided:

ring.id = 546875
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 = 546875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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