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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41545585
41545585
41545588
41545588
41545591
41545591
41545594
41545594
41545597
41545597

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-N-[5-[(1R)-1-ethylpentyl]-1…

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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) 3.46 8.22 -20.4 2 7 0 93 388.493 7 ↓
Hi High (pH 8-9.5) 3.65 5.47 -60.87 1 7 -1 100 387.485 7 ↓

Analogs

41545588
41545588
41545591
41545591
41545594
41545594
41545597
41545597
41545582
41545582

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-N-[5-[(1S)-1-ethylpentyl]-1…

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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) 3.46 8.23 -20.87 2 7 0 93 388.493 7 ↓
Hi High (pH 8-9.5) 3.65 5.48 -62.51 1 7 -1 100 387.485 7 ↓

Analogs

41545591
41545591
41545594
41545594
41545597
41545597
41545582
41545582
41545585
41545585

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-N-[5-[(1R)-1-ethylpentyl]-1…

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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) 3.46 6.73 -18.87 2 7 0 93 388.493 7 ↓
Hi High (pH 8-9.5) 3.65 5.45 -50.04 1 7 -1 100 387.485 7 ↓

Analogs

41545594
41545594
41545597
41545597
41545582
41545582
41545585
41545585
41545588
41545588

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-N-[5-[(1S)-1-ethylpentyl]-1…

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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) 3.46 6.74 -19.26 2 7 0 93 388.493 7 ↓
Hi High (pH 8-9.5) 3.65 5.49 -51.69 1 7 -1 100 387.485 7 ↓

Analogs

41545675
41545675
36357818
36357818
36357819
36357819

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-(1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-(1,3,4-thi…

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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) 0.94 1.79 -20.37 2 7 0 93 290.304 2 ↓
Hi High (pH 8-9.5) 1.13 0.53 -47.39 1 7 -1 100 289.296 2 ↓

Analogs

36357818
36357818
36357819
36357819
41545672
41545672

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-(1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-(1,3,4-thi…

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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) 0.94 3.28 -21.74 2 7 0 93 290.304 2 ↓
Hi High (pH 8-9.5) 1.13 0.53 -57.75 1 7 -1 100 289.296 2 ↓

Analogs

41546372
41546372

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-butylsulfanyl-1,3,4-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) 3.10 7.07 -18.01 2 7 0 93 378.479 6 ↓
Hi High (pH 8-9.5) 3.28 4.06 -57.47 1 7 -1 100 377.471 6 ↓

Analogs

41546369
41546369

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-butylsulfanyl-1,3,4-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) 3.10 5.57 -16.59 2 7 0 93 378.479 6 ↓
Hi High (pH 8-9.5) 3.28 4.06 -47.11 1 7 -1 100 377.471 6 ↓

Analogs

41547216
41547216
41547220
41547220
41547223
41547223
41547226
41547226
41547229
41547229

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbox (2S)-N-[5-[(1R)-1-ethylpentyl]-1…

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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) 3.89 8.88 -19.98 2 7 0 93 402.52 7 ↓
Hi High (pH 8-9.5) 4.07 6.13 -60.07 1 7 -1 100 401.512 7 ↓

Analogs

41547220
41547220
41547223
41547223
41547226
41547226
41547229
41547229
41547213
41547213

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbox (2S)-N-[5-[(1S)-1-ethylpentyl]-1…

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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) 3.89 8.9 -20.38 2 7 0 93 402.52 7 ↓
Hi High (pH 8-9.5) 4.07 6.15 -61.84 1 7 -1 100 401.512 7 ↓

Analogs

41547223
41547223
41547226
41547226
41547229
41547229
41547213
41547213
41547216
41547216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbox (2R)-N-[5-[(1R)-1-ethylpentyl]-1…

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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) 3.89 7.4 -18.56 2 7 0 93 402.52 7 ↓
Hi High (pH 8-9.5) 4.07 6.12 -50.13 1 7 -1 100 401.512 7 ↓

Analogs

41547226
41547226
41547229
41547229
41547213
41547213
41547216
41547216
41547220
41547220

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbox (2R)-N-[5-[(1S)-1-ethylpentyl]-1…

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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) 3.89 7.41 -19.05 2 7 0 93 402.52 7 ↓
Hi High (pH 8-9.5) 4.07 6.15 -51.79 1 7 -1 100 401.512 7 ↓

Analogs

41547301
41547301

Draw Identity 99% 90% 80% 70%

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

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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) 1.36 3.98 -21.34 2 7 0 93 304.331 2 ↓
Hi High (pH 8-9.5) 1.55 1.2 -57.08 1 7 -1 100 303.323 2 ↓

Analogs

41547298
41547298

Draw Identity 99% 90% 80% 70%

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

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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) 1.36 2.48 -20.09 2 7 0 93 304.331 2 ↓
Hi High (pH 8-9.5) 1.55 1.21 -47.3 1 7 -1 100 303.323 2 ↓

Analogs

41547993
41547993

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-butylsulfanyl-1,3,4-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) 3.52 7.72 -17.63 2 7 0 93 392.506 6 ↓
Hi High (pH 8-9.5) 3.71 4.72 -56.75 1 7 -1 100 391.498 6 ↓

Analogs

41547990
41547990

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-butylsulfanyl-1,3,4-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) 3.52 6.22 -16.28 2 7 0 93 392.506 6 ↓
Hi High (pH 8-9.5) 3.71 4.73 -47.15 1 7 -1 100 391.498 6 ↓

Analogs

41548774
41548774
41548776
41548776
41548778
41548778
41548780
41548780
41548782
41548782

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-c (2S)-6-chloro-N-[5-[(1R)-1-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) 4.12 8.74 -19.63 2 7 0 93 422.938 7 ↓
Hi High (pH 8-9.5) 4.30 5.99 -56.07 1 7 -1 100 421.93 7 ↓

Analogs

41548776
41548776
41548778
41548778
41548780
41548780
41548782
41548782
41548772
41548772

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-c (2S)-6-chloro-N-[5-[(1S)-1-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) 4.12 8.75 -20.03 2 7 0 93 422.938 7 ↓
Hi High (pH 8-9.5) 4.30 6.01 -57.65 1 7 -1 100 421.93 7 ↓

Analogs

41548778
41548778
41548780
41548780
41548782
41548782
41548772
41548772
41548774
41548774

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[5-[(1R)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-c (2R)-6-chloro-N-[5-[(1R)-1-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) 4.12 7.24 -18.19 2 7 0 93 422.938 7 ↓
Hi High (pH 8-9.5) 4.30 5.98 -46.06 1 7 -1 100 421.93 7 ↓

Analogs

41548780
41548780
41548782
41548782
41548772
41548772
41548774
41548774
41548776
41548776

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[5-[(1S)-1-ethylpentyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-c (2R)-6-chloro-N-[5-[(1S)-1-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) 4.12 7.26 -18.61 2 7 0 93 422.938 7 ↓
Hi High (pH 8-9.5) 4.30 6.01 -47.67 1 7 -1 100 421.93 7 ↓

Analogs

41548830
41548830

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(5-isobutyl-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) 2.63 6.57 -19.99 2 7 0 93 380.857 4 ↓
Hi High (pH 8-9.5) 2.81 3.91 -55.31 1 7 -1 100 379.849 4 ↓

Analogs

41548828
41548828

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(5-isobutyl-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) 2.63 5.07 -18.57 2 7 0 93 380.857 4 ↓
Hi High (pH 8-9.5) 2.81 3.91 -45.55 1 7 -1 100 379.849 4 ↓

Analogs

41548894
41548894

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-3-oxo-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) 1.59 2.32 -19.77 2 7 0 93 324.749 2 ↓
Hi High (pH 8-9.5) 1.78 1.05 -43.58 1 7 -1 100 323.741 2 ↓

Analogs

41548892
41548892

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-3-oxo-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) 1.59 3.81 -21 2 7 0 93 324.749 2 ↓
Hi High (pH 8-9.5) 1.78 1.06 -53.18 1 7 -1 100 323.741 2 ↓

Analogs

41548898
41548898

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(5-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) 1.31 4.54 -20.87 2 7 0 93 338.776 2 ↓
Hi High (pH 8-9.5) 1.49 1.8 -55.4 1 7 -1 100 337.768 2 ↓

Analogs

41548896
41548896

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(5-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) 1.31 3.07 -19.48 2 7 0 93 338.776 2 ↓
Hi High (pH 8-9.5) 1.49 1.8 -45.61 1 7 -1 100 337.768 2 ↓

Analogs

41548902
41548902

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(5-ethyl-1,3,4-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) 1.88 5.31 -20.38 2 7 0 93 352.803 3 ↓
Hi High (pH 8-9.5) 2.07 2.56 -55.2 1 7 -1 100 351.795 3 ↓

Analogs

41548900
41548900

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(5-ethyl-1,3,4-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) 1.88 3.81 -18.96 2 7 0 93 352.803 3 ↓
Hi High (pH 8-9.5) 2.07 2.55 -45.46 1 7 -1 100 351.795 3 ↓

Analogs

41548914
41548914

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-3-oxo-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) 2.38 6.07 -19.97 2 7 0 93 366.83 4 ↓
Hi High (pH 8-9.5) 2.57 3.33 -54.87 1 7 -1 100 365.822 4 ↓

Analogs

41548912
41548912

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Popular Name: (2R)-6-chloro-2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-3-oxo-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) 2.38 4.58 -18.64 2 7 0 93 366.83 4 ↓
Hi High (pH 8-9.5) 2.57 3.32 -45.13 1 7 -1 100 365.822 4 ↓

Analogs

41549473
41549473

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Popular Name: (2S)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2S)-N-(5-butylsulfanyl-1,3,4-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) 3.75 7.59 -17.38 2 7 0 93 412.924 6 ↓
Hi High (pH 8-9.5) 3.94 4.58 -52.82 1 7 -1 100 411.916 6 ↓

Analogs

41549471
41549471

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2R)-N-(5-butylsulfanyl-1,3,4-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) 3.75 6.08 -15.99 2 7 0 93 412.924 6 ↓
Hi High (pH 8-9.5) 3.94 4.58 -43.24 1 7 -1 100 411.916 6 ↓

Parameters Provided:

ring.id = 546884
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 = 546884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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