UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxam N-[(1-ethylbenzimidazol-2-yl)met…

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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) 1.18 5.24 -26.56 1 8 0 98 385.449 4 ↓
Mid Mid (pH 6-8) 1.18 5.74 -53.54 2 8 1 100 386.457 4 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-c N-methyl-N-[(4-methylsulfanylphe…

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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 6.96 -24.69 0 6 0 72 377.491 4 ↓

Analogs

15768727
15768727

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thia N-[2-[(2,6-dimethylphenyl)amino]…

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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) 0.55 6.14 -32.03 1 8 0 101 402.476 4 ↓

Analogs

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Popular Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] [(1R)-2-morpholino-2-oxo-1-pheny…

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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) 1.16 6.69 -26.58 0 9 0 107 431.47 5 ↓

Analogs

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Popular Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] [(1S)-2-morpholino-2-oxo-1-pheny…

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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) 1.16 6.71 -26.63 0 9 0 107 431.47 5 ↓

Analogs

12865616
12865616
12865625
12865625

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Popular Name: [(1S)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1S)-2-diethylamino-2-oxo-1-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) 2.06 8.8 -26.72 0 8 0 98 417.487 7 ↓

Analogs

12865616
12865616
12865625
12865625

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Popular Name: [(1R)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1R)-2-diethylamino-2-oxo-1-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) 2.06 9.08 -26.39 0 8 0 98 417.487 7 ↓

Analogs

12828774
12828774

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Popular Name: 4,4-dioxo-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9-tri 4,4-dioxo-N-(4,5,6,7-tetrahydrob…

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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) 1.73 -6.13 -27.03 1 7 0 93 364.452 2 ↓

Analogs

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Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-4,4-dioxo-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9- N-[5-[(3-chlorophenyl)methyl]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) 3.35 -5.38 -28.04 1 7 0 93 434.93 4 ↓

Analogs

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Popular Name: N-[(2S)-2-methyl-3-pyrazol-1-yl-propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbo N-[(2S)-2-methyl-3-pyrazol-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) 0.24 4.04 -40.02 1 8 0 98 349.416 5 ↓

Analogs

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Popular Name: N-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbo N-[(2R)-2-methyl-3-pyrazol-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) 0.24 3.99 -40.22 1 8 0 98 349.416 5 ↓

Analogs

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Popular Name: (2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazin-7-yl)-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-di (2,2-dioxo-3,4-dihydropyrido[6,1…

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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) 1.37 6.62 -26.62 0 8 0 88 455.462 3 ↓

Analogs

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Popular Name: (4,4-dioxo-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9-trien-9-yl)-(9-thia-4-azabicyclo[4.3.0]non (4,4-dioxo-4$l^{6}-thia-1,5-diaz…

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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) 0.78 -5.12 -22.87 0 6 0 72 349.437 1 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dioxo-N-propyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothi N-[(3R)-1,1-dioxothiolan-3-yl]-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) 1.93 3.45 -30.57 0 8 0 106 443.572 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-dioxo-N-propyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothi N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.93 3.46 -31.87 0 8 0 106 443.572 4 ↓

Analogs

8366923
8366923
8366924
8366924

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Popular Name: (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)me (2,2-dioxo-3,4-dihydropyrido[2,1…

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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) 2.59 6.33 -21.92 0 6 0 72 357.435 1 ↓

Analogs

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Popular Name: (6-chloro-3-pyridyl)methyl (6-chloro-3-pyridyl)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) 1.76 5.14 -24.8 0 7 0 91 353.787 4 ↓

Analogs

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Popular Name: 2,2-dioxo-N-prop-2-ynyl-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-prop-2-ynyl-3,4-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) -0.10 1.49 -22.32 1 6 0 81 265.294 2 ↓

Analogs

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Popular Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine- N-[(4-ethoxy-3-methoxy-phenyl)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) 0.94 6.07 -28.21 0 8 0 90 405.476 6 ↓

Analogs

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Popular Name: N-methoxy-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-methoxy-2,2-dioxo-3,4-dihydrop…

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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) -0.30 1.14 -27.57 1 7 0 90 257.271 2 ↓

Analogs

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Popular Name: N-(m-tolylmethyl)-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-(m-tolylmethyl)-2,2-dioxo-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) 1.56 4.63 -23.39 1 6 0 81 331.397 3 ↓

Analogs

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Popular Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadi N-[5-[(2-chloro-3-methyl-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) 3.72 8.19 -29.78 1 7 0 93 448.957 4 ↓
Hi High (pH 8-9.5) 3.79 7.21 -48.62 0 7 -1 100 447.949 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]th N-cyclopropyl-N-[[4-(cyclopropyl…

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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) 0.84 6.88 -30.2 1 8 0 101 440.525 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadia N-cyclopropyl-N-[[4-(methylcarba…

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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) 0.47 5 -32.18 1 8 0 101 414.487 5 ↓

Analogs

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Popular Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadia N-[[4-(cyclopropylcarbamoyl)phen…

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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) 0.47 5.94 -30.5 1 8 0 101 414.487 5 ↓

Analogs

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Popular Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]be N-[5-chloro-2-(4-methylpiperazin…

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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) 4.05 8.74 -74.02 2 8 1 88 493.034 3 ↓
Mid Mid (pH 6-8) 4.05 6.31 -23.96 1 8 0 87 492.026 3 ↓

Analogs

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Popular Name: 2,2-dioxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9- 2,2-dioxo-N-[[6-(1,2,4-triazol-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) -0.86 6.18 -40.79 1 10 0 124 385.409 4 ↓
Hi High (pH 8-9.5) -0.79 4.16 -75.4 0 10 -1 130 384.401 4 ↓

Analogs

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Popular Name: N-(1-benzyl-4-piperidyl)-2,2-dioxo-6-phenyl-3,4-dihydrothiazolo[2,3-c][1,2,4]thiadiazine-7-carboxami N-(1-benzyl-4-piperidyl)-2,2-dio…

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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) 4.00 9.49 -54.97 2 7 1 85 483.639 5 ↓
Hi High (pH 8-9.5) 4.00 7.25 -16.49 1 7 0 84 482.631 5 ↓

Analogs

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Popular Name: 2,2-dioxo-N-[3-(tetrazol-1-yl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carb 2,2-dioxo-N-[3-(tetrazol-1-yl)ph…

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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 5.34 -41.41 1 10 0 124 427.471 3 ↓

Analogs

31985236
31985236

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Popular Name: N-(cyclobutylmethyl)-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-(cyclobutylmethyl)-2,2-dioxo-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) 0.78 3.11 -24.16 1 6 0 81 295.364 3 ↓

Analogs

9153968
9153968

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Popular Name: N-(3-isobutoxypropyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamid N-(3-isobutoxypropyl)-2,2-dioxo-…

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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 4.57 -24.53 1 7 0 90 397.522 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 2.68 -28.47 1 8 0 107 327.362 6 ↓

Analogs

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Popular Name: 2,2-dioxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7- 2,2-dioxo-N-[[6-(1,2,4-triazol-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) -0.54 5.83 -28.66 1 10 0 124 385.409 4 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-2,2-dioxo-N-(2-thienylmethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiaz N-(2-furylmethyl)-2,2-dioxo-N-(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) 3.48 7.84 -24.87 0 7 0 85 459.574 5 ↓

Analogs

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Popular Name: N-(4-amino-3,5-dichloro-phenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-(4-amino-3,5-dichloro-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) 2.13 2.92 -23.82 3 7 0 107 387.248 2 ↓
Hi High (pH 8-9.5) 2.20 1.26 -41.27 2 7 -1 113 386.24 2 ↓

Analogs

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Popular Name: N'-(2-methylbenzoyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbohydrazide N'-(2-methylbenzoyl)-2,2-dioxo-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) 0.93 3.36 -24.71 2 8 0 110 360.395 3 ↓
Hi High (pH 8-9.5) 1.00 1.81 -50.32 1 8 -1 116 359.387 3 ↓

Analogs

26064174
26064174
26064177
26064177
8184993
8184993

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Popular Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carb N-[[1-(dimethylamino)cycloheptyl…

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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) 2.25 5.75 -64.22 2 7 1 85 381.522 4 ↓

Analogs

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Popular Name: 2,2-dioxo-N-(4-phenoxybutyl)-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-(4-phenoxybutyl)-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) 1.96 5.15 -25.99 1 7 0 90 375.45 7 ↓

Analogs

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Popular Name: N-[4-(isopropylsulfamoyl)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide N-[4-(isopropylsulfamoyl)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) 0.86 1.84 -43.97 2 9 0 127 424.504 5 ↓

Analogs

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Popular Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-cyano-1,2-dimethyl-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) 0.50 4.8 -44.75 1 9 0 131 380.426 6 ↓

Analogs

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Popular Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-cyano-1,2-dimethyl-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) 0.50 4.78 -45.76 1 9 0 131 380.426 6 ↓

Analogs

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Popular Name: 3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine 3,4-dihydropyrazino[2,1-c][1,2,4…

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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) -0.31 0.19 -21.52 0 5 0 64 185.208 0 ↓

Analogs

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Popular Name: N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4] N-[(9-chloro-3,4-dihydro-2H-1,5-…

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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) 1.72 4.49 -25.69 1 8 0 99 423.878 3 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-2,2-diketo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide N-(2-chlorobenzyl)-2,2-diketo-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) 3.78 5.71 -23.58 1 6 0 81 407.904 3 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 3.12 -15.49 0 6 0 78 276.339 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazo N-[(1R)-1-(3,4-difluorophenyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 6.3 -25.53 1 6 0 81 423.466 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazo N-[(1S)-1-(3,4-difluorophenyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.97 6.29 -28.82 1 6 0 81 423.466 3 ↓

Analogs

7608994
7608994
18095150
18095150
45827221
45827221
45827224
45827224
49909345
49909345

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Popular Name: N-cycloheptyl-dioxo-BLAHcarboxamide N-cycloheptyl-dioxo-BLAHcarboxamide

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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) 4.16 5.37 -24.18 1 6 0 81 379.507 2 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-dioxo-BLAHcarboxamide N-(3-ethylphenyl)-dioxo-BLAHcarb…

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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 6.62 -25.17 1 6 0 81 387.486 3 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-[(4-fluorophenyl)methyl]-dioxo…

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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) 3.31 5.36 -24.48 1 6 0 81 391.449 3 ↓

Parameters Provided:

ring.id = 24246
filter.purchasability = annotated
page.format = targets
page.num = 1

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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