UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5781211
5781211

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Popular Name: [2-(1,3-dithian-2-yl)-1-methyl-ethyl] [2-(1,3-dithian-2-yl)-1-methyl-e…

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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) 2.54 1.05 -5.61 0 2 0 26 234.386 5 ↓

Analogs

5781205
5781205

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Popular Name: [2-(1,3-dithian-2-yl)-1-methyl-ethyl] [2-(1,3-dithian-2-yl)-1-methyl-e…

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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) 2.54 1.05 -5.59 0 2 0 26 234.386 5 ↓

Analogs

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Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl] [4-(2-oxopyrrolidin-1-yl)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) 4.30 13.37 -15.21 0 4 0 47 399.537 5 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-hydroxyphenyl)acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 3.66 7.81 -14.25 2 4 0 59 361.488 5 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide N,N-bis(2-cyanoethyl)-2-[4-(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) 1.39 11.8 -22.78 0 5 0 77 375.519 8 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide N-[3-(dimethylamino)-2,2-dimethy…

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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) 3.42 11.24 -47.22 2 4 1 43 383.603 8 ↓

Analogs

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Popular Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl (1,3-dimethyl-2,6-dioxo-pyrimidi…

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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 0.59 -13.13 0 6 0 70 392.502 5 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]ethanone 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 2.55 9.94 -19.57 0 6 0 68 419.572 5 ↓

Analogs

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Popular Name: [4-(1,3-dithian-2-yl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone [4-(1,3-dithian-2-yl)phenyl]-[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) 3.89 12.77 -11.37 0 4 0 36 467.582 4 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide N-[(2S)-2-dimethylamino-2-(2-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) 3.85 12.3 -52.39 2 5 1 52 447.646 9 ↓
Hi High (pH 8-9.5) 3.85 10.24 -15.2 1 5 0 51 446.638 9 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide N-[(2R)-2-dimethylamino-2-(2-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) 3.85 12.27 -51.91 2 5 1 52 447.646 9 ↓
Hi High (pH 8-9.5) 3.85 10.15 -15.1 1 5 0 51 446.638 9 ↓

Analogs

16599594
16599594
16599595
16599595

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide 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) 4.78 13.57 -44.53 2 3 1 34 415.648 7 ↓
Hi High (pH 8-9.5) 4.78 11.47 -9.99 1 3 0 32 414.64 7 ↓

Analogs

16599594
16599594
16599595
16599595

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide 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) 4.78 13.58 -44.46 2 3 1 34 415.648 7 ↓
Hi High (pH 8-9.5) 4.78 11.49 -9.96 1 3 0 32 414.64 7 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-morpholinopropyl)acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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 7 -15.75 1 5 0 51 396.578 8 ↓
Mid Mid (pH 6-8) 2.37 9.32 -53.13 2 5 1 52 397.586 8 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[4-(morpholinomethyl)thiazol-2-yl]benzamide 4-(1,3-dithian-2-yl)-N-[4-(morph…

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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) 2.90 7.55 -10.8 1 5 0 54 421.613 5 ↓
Lo Low (pH 4.5-6) 2.90 9.96 -43.03 2 5 1 56 422.621 5 ↓

Analogs

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Popular Name: N-[3-(1,3-dithian-2-yl)phenyl]morpholine-4-carboxamide N-[3-(1,3-dithian-2-yl)phenyl]mo…

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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) 2.64 7.45 -10.35 1 4 0 42 324.471 2 ↓

Analogs

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Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-(1,3-dithian-2-yl)benzamide N-[3-(difluoromethoxy)-4-methoxy…

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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 9.53 -13.35 1 4 0 48 411.495 6 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[(2S)-3-ethyl-2-morpholino-pentyl]benzamide 4-(1,3-dithian-2-yl)-N-[(2S)-3-e…

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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) 4.25 11.37 -10.54 1 4 0 42 422.66 8 ↓
Mid Mid (pH 6-8) 4.25 11.76 -43.99 2 4 1 43 423.668 8 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[(2R)-3-ethyl-2-morpholino-pentyl]benzamide 4-(1,3-dithian-2-yl)-N-[(2R)-3-e…

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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) 4.25 11.76 -8.69 1 4 0 42 422.66 8 ↓
Mid Mid (pH 6-8) 4.25 12.17 -40.91 2 4 1 43 423.668 8 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[[5-(4-fluorophenyl)-2-furyl]methyl]benzamide 4-(1,3-dithian-2-yl)-N-[[5-(4-fl…

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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) 5.00 12.1 -10.78 1 3 0 42 413.539 5 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-(3-methanesulfonamido-4-methoxy-phenyl)benzamide 4-(1,3-dithian-2-yl)-N-(3-methan…

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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 6.19 -15.53 2 6 0 85 438.596 6 ↓
Hi High (pH 8-9.5) 3.17 6.23 -45.07 1 6 -1 87 437.588 6 ↓

Analogs

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Popular Name: N-(6-chloro-8-quinolyl)-4-(1,3-dithian-2-yl)benzamide N-(6-chloro-8-quinolyl)-4-(1,3-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) 4.54 11.14 -11.89 1 3 0 42 400.956 3 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide 4-(1,3-dithian-2-yl)-N-[4-(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) 5.16 11.24 -24.36 3 5 0 70 449.601 5 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 5.13 11.76 -20.73 3 6 0 79 479.627 7 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[3-[(1R)-1-phenylethoxy]propyl]benzamide 4-(1,3-dithian-2-yl)-N-[3-[(1R)-…

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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) 4.47 11.78 -11.27 1 3 0 38 401.597 8 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]benzamide 4-(1,3-dithian-2-yl)-N-[3-[(1S)-…

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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) 4.47 11.8 -11.25 1 3 0 38 401.597 8 ↓

Analogs

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Popular Name: 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[4-(1,3-dithian-2-yl)phenyl]methanone 3,4-dihydro-2H-1,5-naphthyridin-…

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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) 3.68 10.59 -10.34 0 3 0 33 356.516 2 ↓

Analogs

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Popular Name: [4-(1,3-dithian-2-yl)phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone [4-(1,3-dithian-2-yl)phenyl]-[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) 3.00 9.53 -16.01 0 5 0 58 468.691 4 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[(2-morpholinosulfonylphenyl)methyl]benzamide 4-(1,3-dithian-2-yl)-N-[(2-morph…

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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) 2.77 8.74 -19.33 1 6 0 76 478.661 6 ↓

Analogs

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Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-4-(1,3-dithian-2-yl)benzamide N-[4-[(4-allyl-5-thioxo-1H-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) 3.47 13.38 -19.25 2 6 0 76 475.69 7 ↓
Hi High (pH 8-9.5) 4.26 12.32 -102 0 6 -2 79 473.674 7 ↓
Mid Mid (pH 6-8) 4.20 13.22 -53.42 1 6 -1 73 474.682 7 ↓

Analogs

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Popular Name: N-[4-(4,5-dimethyloxazol-2-yl)phenyl]-4-(1,3-dithian-2-yl)benzamide N-[4-(4,5-dimethyloxazol-2-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) 4.61 9.91 -14.95 1 4 0 55 410.564 4 ↓

Analogs

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Popular Name: 4-(1,3-dithian-2-yl)-N-[(3-hydroxy-4-methoxy-phenyl)methyl]benzamide 4-(1,3-dithian-2-yl)-N-[(3-hydro…

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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) 3.00 7.32 -12.33 2 4 0 59 375.515 5 ↓

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-4-(1,3-dithian-2-yl)benzamide N-(1,1-dimethylpropyl)-4-(1,3-di…

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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) 3.95 8.98 -9.26 1 2 0 29 309.5 4 ↓

Analogs

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Popular Name: N'-[3-(1,3-dithian-2-yl)phenyl]-N-(5-methoxypentyl)oxamide N'-[3-(1,3-dithian-2-yl)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) 2.36 6.82 -9.36 2 5 0 67 382.551 9 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 2.60 8.04 -12.33 1 4 0 48 353.509 6 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 2.60 8.08 -12.23 1 4 0 48 353.509 6 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]piperidine-4-carboxamide 1-[2-[4-(1,3-dithian-2-yl)phenox…

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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) 1.98 7.59 -18.18 2 5 0 73 380.535 5 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 3.15 8.2 -10.99 1 3 0 38 351.415 6 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[(1S)-3-(2-furyl)-1-methyl-propyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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 11.42 -15.84 1 4 0 51 391.558 8 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[(1R)-3-(2-furyl)-1-methyl-propyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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 11.42 -14.89 1 4 0 51 391.558 8 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[3-(2-methoxyethoxy)propyl]acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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) 2.28 7.8 -15.78 1 5 0 57 385.551 11 ↓

Analogs

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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) 4.37 12.09 -18.12 1 5 0 65 467.559 8 ↓

Analogs

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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) 4.37 12.08 -18.14 1 5 0 65 467.559 8 ↓

Analogs

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Popular Name: [2-[dimethyl(octoxycarbonyl)ammonio]-1,3-dithian-2-yl]-dimethyl-octoxycarbonyl-ammonium [2-[dimethyl(octoxycarbonyl)ammo…

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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 19.83 -84.22 0 6 2 53 520.846 18 ↓

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) 0.84 7.71 -10.47 0 5 0 70 288.394 5 ↓

Analogs

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Popular Name: 2-(1,3-dithian-2-yl)-1-methyl-imidazole 2-(1,3-dithian-2-yl)-1-methyl-im…

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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) 1.23 6.25 -8.65 0 2 0 18 200.332 1 ↓
Mid Mid (pH 6-8) 1.23 6.69 -25.44 1 2 1 19 201.34 1 ↓

Analogs

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Popular Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] [2-[(2-fluorophenyl)methylamino]…

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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) 3.60 12.12 -15.04 1 5 0 65 435.542 9 ↓

Analogs

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Popular Name: 2-[4-(1,3-dithian-2-yl)phenoxy]-N,N-dimethyl-acetamide 2-[4-(1,3-dithian-2-yl)phenoxy]-…

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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 8.91 -14.43 0 3 0 30 297.445 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]piperidine-3-carboxamide (3R)-1-[2-[4-(1,3-dithian-2-yl)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) 1.98 7.56 -15.4 2 5 0 73 380.535 5 ↓

Analogs

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Popular Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-ethyl-acetamide 2-[[2-[4-(1,3-dithian-2-yl)pheno…

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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) 2.21 6.24 -14.07 2 5 0 67 354.497 7 ↓

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