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Popular Name: 2-(3-thienylmethylsulfanyl)pyridine-3-carboxylic 2-(3-thienylmethylsulfanyl)pyrid…

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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) 2.34 7.16 -49.06 0 3 -1 53 250.324 4 ↓

Analogs

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Popular Name: 2-(3-thienylmethylsulfanyl)pyridin-3-amine 2-(3-thienylmethylsulfanyl)pyrid…

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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 4.67 -5.63 2 2 0 39 222.338 3 ↓

Analogs

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Popular Name: 6-(3-thienylmethylsulfanyl)pyridin-3-amine 6-(3-thienylmethylsulfanyl)pyrid…

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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) 2.47 4.6 -5.81 2 2 0 39 222.338 3 ↓

Analogs

39559252
39559252

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Popular Name: diethyl diethyl

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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) 3.01 7.85 -17.77 2 6 0 92 366.464 9 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 3.29 10.28 -16.28 2 9 0 142 477.564 12 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 2.49 5.8 -20.55 2 9 0 129 473.598 11 ↓

Analogs

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Popular Name: 2-[(5-bromo-3-thienyl)methylsulfanyl]pyridine-4-carboxylic 2-[(5-bromo-3-thienyl)methylsulf…

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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) 3.61 8 -44.95 0 3 -1 53 329.22 4 ↓

Analogs

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Popular Name: 2-[(5-bromo-3-thienyl)methylsulfanyl]pyridin-3-amine 2-[(5-bromo-3-thienyl)methylsulf…

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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) 3.19 5.39 -5.21 2 2 0 39 301.234 3 ↓

Analogs

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Popular Name: 6-[(5-bromo-3-thienyl)methylsulfanyl]pyridin-3-amine 6-[(5-bromo-3-thienyl)methylsulf…

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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) 3.40 5.33 -5.36 2 2 0 39 301.234 3 ↓

Analogs

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Popular Name: 2-[(5-bromo-3-thienyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(5-bromo-3-thienyl)methylsulf…

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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) 4.09 9.27 -53.71 0 3 -1 53 357.274 4 ↓

Analogs

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Popular Name: 6-[(5-bromo-3-thienyl)methylsulfanyl]pyridine-3-carboxylic 6-[(5-bromo-3-thienyl)methylsulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.99 -43.57 0 3 -1 53 329.22 4 ↓

Analogs

481427
481427

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Popular Name: 6-(3-thienylmethylsulfanyl)pyridine-3-carboxylic 6-(3-thienylmethylsulfanyl)pyrid…

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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) 2.40 7.26 -44.24 0 3 -1 53 250.324 4 ↓

Analogs

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Popular Name: 3-nitro-2-[(5-nitro-3-thienyl)methylsulfanyl]pyridine 3-nitro-2-[(5-nitro-3-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 8.24 -14.28 0 7 0 105 297.317 5 ↓

Analogs

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Popular Name: 2-[(5-bromo-3-thienyl)methylsulfanyl]-3-nitro-pyridine 2-[(5-bromo-3-thienyl)methylsulf…

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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 8.01 -9.43 0 4 0 59 331.216 4 ↓

Analogs

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Popular Name: dimethyl 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) 2.26 5.99 -15.83 2 6 0 92 338.41 7 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(3-thienylmethylsulfanyl)pyridine-3-carboxylic 4,6-dimethyl-2-(3-thienylmethyls…

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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) 3.16 8.54 -55.22 0 3 -1 53 278.378 4 ↓
Lo Low (pH 4.5-6) 3.16 8.89 -47.41 1 3 0 54 279.386 4 ↓

Analogs

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Popular Name: 4,6-diamino-2-[(5-bromo-3-thienyl)methylsulfanyl]pyridine-3-carbonitrile 4,6-diamino-2-[(5-bromo-3-thieny…

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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 4.35 -8.48 4 4 0 89 341.259 3 ↓

Parameters Provided:

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