UCSF
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Analogs

22910917
22910917
39111074
39111074
39111075
39111075

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Popular Name: BAN BAN

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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) 1.71 4.1 -30.4 3 3 1 46 215.276 4 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carbonitrile 2-[[(1S)-2-(4-fluorophenyl)-1-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) 2.90 8.25 -8.13 1 3 0 49 255.296 4 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carbonitrile 2-[[(1R)-2-(4-fluorophenyl)-1-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) 2.90 8.24 -8.13 1 3 0 49 255.296 4 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-6-methyl-pyridine-3-carbonitrile 2-[[(1S)-2-(4-fluorophenyl)-1-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) 2.95 9.3 -7.63 1 3 0 49 269.323 4 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-6-methyl-pyridine-3-carbonitrile 2-[[(1R)-2-(4-fluorophenyl)-1-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) 2.95 9.3 -7.62 1 3 0 49 269.323 4 ↓

Analogs

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Popular Name: 6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic 6-[[(1S)-2-(4-fluorophenyl)-1-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) 2.77 8.87 -46.15 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 2.77 8.39 -51.68 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic 6-[[(1R)-2-(4-fluorophenyl)-1-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) 2.77 8.86 -46.15 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 2.77 8.37 -51.64 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carboxylic 2-[[(1S)-2-(4-fluorophenyl)-1-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) 3.06 8.9 -50.97 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 3.06 8.44 -49.32 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carboxylic 2-[[(1R)-2-(4-fluorophenyl)-1-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) 3.06 8.89 -50.93 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 3.06 8.43 -49.35 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carbothioamide 6-[[(1S)-2-(4-fluorophenyl)-1-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) 3.00 7.05 -15.56 3 3 0 51 289.379 5 ↓
Lo Low (pH 4.5-6) 3.00 7.53 -50.85 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carbothioamide 6-[[(1R)-2-(4-fluorophenyl)-1-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) 3.00 7.04 -14.98 3 3 0 51 289.379 5 ↓
Lo Low (pH 4.5-6) 3.00 7.52 -50.06 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carbothioamide 2-[[(1S)-2-(4-fluorophenyl)-1-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) 2.94 7.08 -14.39 3 3 0 51 289.379 5 ↓
Mid Mid (pH 6-8) 2.94 7.56 -48.02 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carbothioamide 2-[[(1R)-2-(4-fluorophenyl)-1-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) 2.94 7.08 -13.85 3 3 0 51 289.379 5 ↓
Mid Mid (pH 6-8) 2.94 7.55 -47.01 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carbothioamide 2-[[(1S)-2-(4-fluorophenyl)-1-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) 2.94 7.53 -12.35 3 3 0 51 289.379 5 ↓
Lo Low (pH 4.5-6) 2.94 7.9 -43.73 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carbothioamide 2-[[(1R)-2-(4-fluorophenyl)-1-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) 2.94 7.55 -12.62 3 3 0 51 289.379 5 ↓
Lo Low (pH 4.5-6) 2.94 7.9 -43.55 4 3 1 52 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-6-methyl-pyridine-3-carbothioamide 2-[[(1S)-2-(4-fluorophenyl)-1-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) 3.00 8.16 -12.49 3 3 0 51 303.406 5 ↓
Mid Mid (pH 6-8) 3.00 8.46 -39.65 4 3 1 52 304.414 5 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]-6-methyl-pyridine-3-carbothioamide 2-[[(1R)-2-(4-fluorophenyl)-1-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) 3.00 8.14 -12.14 3 3 0 51 303.406 5 ↓
Mid Mid (pH 6-8) 3.00 8.47 -39.77 4 3 1 52 304.414 5 ↓

Analogs

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Popular Name: 5-chloro-6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic 5-chloro-6-[[(1S)-2-(4-fluorophe…

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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) 3.38 9.41 -47.06 1 4 -1 65 307.732 5 ↓
Lo Low (pH 4.5-6) 3.38 9.74 -41.71 2 4 0 66 308.74 5 ↓

Analogs

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Popular Name: 5-chloro-6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-3-carboxylic 5-chloro-6-[[(1R)-2-(4-fluorophe…

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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) 3.38 9.41 -47.05 1 4 -1 65 307.732 5 ↓
Lo Low (pH 4.5-6) 3.38 9.73 -41.71 2 4 0 66 308.74 5 ↓

Analogs

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Popular Name: 3-chloro-6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-2-carboxylic 3-chloro-6-[[(1S)-2-(4-fluorophe…

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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 8.83 -55.67 1 4 -1 65 307.732 5 ↓
Lo Low (pH 4.5-6) 3.85 9.26 -37.75 2 4 0 66 308.74 5 ↓

Analogs

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Popular Name: 3-chloro-6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-2-carboxylic 3-chloro-6-[[(1R)-2-(4-fluorophe…

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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 8.83 -55.66 1 4 -1 65 307.732 5 ↓
Lo Low (pH 4.5-6) 3.85 9.24 -37.71 2 4 0 66 308.74 5 ↓

Analogs

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Popular Name: 2-chloro-6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carboxylic 2-chloro-6-[[(1S)-2-(4-fluorophe…

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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) 4.08 8.86 -45.5 1 4 -1 65 307.732 5 ↓

Analogs

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Popular Name: 2-chloro-6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-4-carboxylic 2-chloro-6-[[(1R)-2-(4-fluorophe…

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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) 4.08 8.84 -45.46 1 4 -1 65 307.732 5 ↓

Analogs

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Popular Name: 6-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-2-carboxylic 6-[[(1S)-2-(4-fluorophenyl)-1-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) 2.84 8.86 -37.51 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 2.84 8.43 -57.26 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 6-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]pyridine-2-carboxylic 6-[[(1R)-2-(4-fluorophenyl)-1-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) 2.84 8.85 -37.49 2 4 0 66 274.295 5 ↓
Mid Mid (pH 6-8) 2.84 8.42 -57.26 1 4 -1 65 273.287 5 ↓

Analogs

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Popular Name: 4-[2-[(3-methyl-5-nitro-2-pyridyl)amino]ethyl]phenol 4-[2-[(3-methyl-5-nitro-2-pyridy…

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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) 2.73 5.87 -10.18 2 6 0 91 273.292 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-5-nitro-pyridin-2-amine N-[2-(4-chlorophenyl)ethyl]-3-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) 3.88 9.24 -9.14 1 5 0 71 291.738 5 ↓

Analogs

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Popular Name: (1R)-2-[(5-amino-3-methyl-2-pyridyl)amino]-1-phenyl-ethanol (1R)-2-[(5-amino-3-methyl-2-pyri…

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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) 1.74 3.16 -28.13 5 4 1 72 244.318 4 ↓
Mid Mid (pH 6-8) 1.74 2.81 -6.75 4 4 0 71 243.31 4 ↓

Analogs

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Popular Name: (1S)-2-[(5-amino-3-methyl-2-pyridyl)amino]-1-phenyl-ethanol (1S)-2-[(5-amino-3-methyl-2-pyri…

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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) 1.74 3.09 -28.23 5 4 1 72 244.318 4 ↓
Mid Mid (pH 6-8) 1.74 2.74 -6.79 4 4 0 71 243.31 4 ↓

Analogs

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Popular Name: N2-[2-(3-fluorophenyl)ethyl]-3-methyl-pyridine-2,5-diamine N2-[2-(3-fluorophenyl)ethyl]-3-m…

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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) 2.87 6.33 -29.31 4 3 1 52 246.309 4 ↓
Mid Mid (pH 6-8) 2.87 5.98 -7.59 3 3 0 51 245.301 4 ↓

Analogs

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Popular Name: 3-methyl-N-[2-(m-tolyl)ethyl]-5-nitro-pyridin-2-amine 3-methyl-N-[2-(m-tolyl)ethyl]-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) 3.63 9.39 -8.22 1 5 0 71 271.32 5 ↓

Analogs

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Popular Name: N2-[2-(4-chlorophenyl)ethyl]-3-methyl-pyridine-2,5-diamine N2-[2-(4-chlorophenyl)ethyl]-3-m…

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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 6.78 -29.15 4 3 1 52 262.764 4 ↓
Mid Mid (pH 6-8) 3.41 6.43 -6.72 3 3 0 51 261.756 4 ↓

Analogs

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Popular Name: 3-methyl-N2-[2-(m-tolyl)ethyl]pyridine-2,5-diamine 3-methyl-N2-[2-(m-tolyl)ethyl]py…

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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 6.93 -26.82 4 3 1 52 242.346 4 ↓
Mid Mid (pH 6-8) 3.15 6.58 -6.71 3 3 0 51 241.338 4 ↓

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) 2.54 7.46 -8.56 1 5 0 60 286.331 7 ↓
Lo Low (pH 4.5-6) 2.54 7.82 -36 2 5 1 62 287.339 7 ↓

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) 3.16 8.68 -7.07 1 4 0 51 290.75 6 ↓
Lo Low (pH 4.5-6) 3.16 9.04 -35.92 2 4 1 52 291.758 6 ↓

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) 1.49 5.06 -8.81 2 5 0 71 272.304 6 ↓
Lo Low (pH 4.5-6) 1.49 5.42 -36.78 3 5 1 73 273.312 6 ↓

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) 1.49 4.99 -8.89 2 5 0 71 272.304 6 ↓
Lo Low (pH 4.5-6) 1.49 5.33 -36.99 3 5 1 73 273.312 6 ↓

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) 2.62 8.23 -7.98 1 4 0 51 274.295 6 ↓
Lo Low (pH 4.5-6) 2.62 8.58 -36.17 2 4 1 52 275.303 6 ↓

Analogs

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Popular Name: 6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbothioamide 6-[2-(2-fluorophenyl)ethylamino]…

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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) 2.62 6.2 -17.7 3 3 0 51 275.352 5 ↓
Lo Low (pH 4.5-6) 2.62 6.65 -55.83 4 3 1 52 276.36 5 ↓

Analogs

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Popular Name: 2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbothioamide 2-[2-(2-fluorophenyl)ethylamino]…

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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) 2.57 6.2 -17.93 3 3 0 51 275.352 5 ↓
Mid Mid (pH 6-8) 2.57 6.68 -52.27 4 3 1 52 276.36 5 ↓

Analogs

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Popular Name: 6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile 6-[2-(2-fluorophenyl)ethylamino]…

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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) 2.58 7.4 -8.05 1 3 0 49 241.269 4 ↓

Analogs

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Popular Name: 6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbothioamide 6-[2-(4-methoxyphenyl)ethylamino…

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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 5.48 -18.39 3 4 0 60 287.388 6 ↓
Lo Low (pH 4.5-6) 2.56 5.94 -58.7 4 4 1 61 288.396 6 ↓

Analogs

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Popular Name: 2-{[2-(4-methoxyphenyl)ethyl]amino}pyridine-3-carbonitrile 2-{[2-(4-methoxyphenyl)ethyl]ami…

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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 6.96 -8.32 1 4 0 58 253.305 5 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine N-[2-(2-fluorophenyl)ethyl]-5-(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) 3.72 7.96 -5.94 1 2 0 25 284.256 5 ↓

Analogs

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Popular Name: (1R)-N'-(5-bromo-2-pyridyl)-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-(5-bromo-2-pyridyl)-N,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) 4.24 10.08 -36.87 2 3 1 29 349.296 7 ↓

Analogs

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Popular Name: (1S)-N'-(5-bromo-2-pyridyl)-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-(5-bromo-2-pyridyl)-N,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) 4.24 9.79 -36.14 2 3 1 29 349.296 7 ↓

Analogs

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Popular Name: 6-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carboxylic 6-[2-(2,4-dichlorophenyl)ethylam…

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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) 3.56 7.92 -51.84 2 4 0 66 311.168 5 ↓
Mid Mid (pH 6-8) 3.56 7.46 -51.31 1 4 -1 65 310.16 5 ↓

Analogs

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Popular Name: (1R,2S)-1-(4-nitrophenyl)-2-[(3-nitro-2-pyridyl)amino]propane-1,3-diol (1R,2S)-1-(4-nitrophenyl)-2-[(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 3.52 -16.3 3 10 0 157 334.288 7 ↓

Analogs

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Popular Name: (1R,2R)-1-(4-nitrophenyl)-2-[(3-nitro-2-pyridyl)amino]propane-1,3-diol (1R,2R)-1-(4-nitrophenyl)-2-[(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 5.37 -15.42 3 10 0 157 334.288 7 ↓

Analogs

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Popular Name: (1S,2S)-1-(4-nitrophenyl)-2-[(3-nitro-2-pyridyl)amino]propane-1,3-diol (1S,2S)-1-(4-nitrophenyl)-2-[(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 5.36 -15.42 3 10 0 157 334.288 7 ↓

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