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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]quinoline-3-carboxamidine 2-[methyl-[(3R)-tetrahydrothioph…

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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) 1.34 6.65 -38.99 4 4 1 68 287.412 3 ↓
Hi High (pH 8-9.5) 1.34 7.76 -8.06 3 4 0 66 286.404 3 ↓

Analogs

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Popular Name: N'-hydroxy-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]quinoline-3-carboxamidine N'-hydroxy-2-[methyl-[(3S)-tetra…

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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) 1.27 6.65 -7.99 3 5 0 75 302.403 3 ↓
Lo Low (pH 4.5-6) 1.27 7.08 -30.7 4 5 1 76 303.411 3 ↓

Analogs

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Popular Name: N'-hydroxy-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]quinoline-3-carboxamidine N'-hydroxy-2-[methyl-[(3R)-tetra…

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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) 1.27 6.75 -8.45 3 5 0 75 302.403 3 ↓
Lo Low (pH 4.5-6) 1.27 7.2 -29.44 4 5 1 76 303.411 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]quinoline-3-carbonitrile 2-[methyl-[(3S)-tetrahydrothioph…

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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) 2.71 8.98 -6.41 0 3 0 40 269.373 2 ↓

Analogs

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Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]quinoline-3-carbonitrile 2-[methyl-[(3R)-tetrahydrothioph…

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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) 2.71 9.33 -7.5 0 3 0 40 269.373 2 ↓

Analogs

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Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]quinoline-3-carbaldehyde 2-[methyl-[(3R)-tetrahydrothioph…

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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) 2.75 8.74 -7.83 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]quinoline-3-carbaldehyde 2-[methyl-[(3S)-tetrahydrothioph…

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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) 2.75 8.71 -7.27 0 3 0 33 272.373 3 ↓

Analogs

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Popular Name: [2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-3-quinolyl]methanol [2-[methyl-[(3R)-tetrahydrothiop…

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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) 2.30 6.38 -7.59 1 3 0 36 274.389 3 ↓
Mid Mid (pH 6-8) 2.30 6.78 -26.9 2 3 1 38 275.397 3 ↓

Analogs

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Popular Name: [2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-3-quinolyl]methanol [2-[methyl-[(3S)-tetrahydrothiop…

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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) 2.30 6.38 -7.33 1 3 0 36 274.389 3 ↓
Mid Mid (pH 6-8) 2.30 6.82 -27.4 2 3 1 38 275.397 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[(3R…

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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) 3.53 10.23 -6.5 0 2 0 16 292.835 3 ↓
Mid Mid (pH 6-8) 3.53 10.68 -28.32 1 2 1 17 293.843 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[(3S…

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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) 3.53 10.15 -6.53 0 2 0 16 292.835 3 ↓
Mid Mid (pH 6-8) 3.53 10.6 -28.95 1 2 1 17 293.843 3 ↓

Analogs

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Popular Name: 3-(ethylaminomethyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(ethylaminomethyl)-N-methyl-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 9.58 -48.42 2 3 1 33 302.467 5 ↓
Mid Mid (pH 6-8) 2.89 10.02 -101.89 3 3 2 34 303.475 5 ↓

Analogs

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Popular Name: 3-(ethylaminomethyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(ethylaminomethyl)-N-methyl-N-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 9.51 -45.49 2 3 1 33 302.467 5 ↓
Mid Mid (pH 6-8) 2.89 9.97 -99.99 3 3 2 34 303.475 5 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[(3R)-tetrahydrothiophen-3-yl]quinolin-2-amine N-methyl-3-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 8.72 -49.54 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 2.52 7.94 -6.69 1 3 0 28 287.432 4 ↓
Mid Mid (pH 6-8) 2.52 9.16 -101.94 3 3 2 34 289.448 4 ↓

Analogs

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Popular Name: N-methyl-3-(methylaminomethyl)-N-[(3S)-tetrahydrothiophen-3-yl]quinolin-2-amine N-methyl-3-(methylaminomethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 8.66 -46.59 2 3 1 33 288.44 4 ↓
Hi High (pH 8-9.5) 2.52 7.8 -5.65 1 3 0 28 287.432 4 ↓
Mid Mid (pH 6-8) 2.52 9.12 -100.15 3 3 2 34 289.448 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(aminomethyl)-N-methyl-N-[(3R)…

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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) 2.14 6.85 -55.49 3 3 1 44 274.413 3 ↓
Hi High (pH 8-9.5) 2.14 6.45 -7.11 2 3 0 42 273.405 3 ↓
Mid Mid (pH 6-8) 2.14 7.39 -108.03 4 3 2 45 275.421 3 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]quinolin-2-amine 3-(aminomethyl)-N-methyl-N-[(3S)…

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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) 2.14 6.88 -52.19 3 3 1 44 274.413 3 ↓
Hi High (pH 8-9.5) 2.14 6.46 -5.99 2 3 0 42 273.405 3 ↓
Mid Mid (pH 6-8) 2.14 7.33 -106.14 4 3 2 45 275.421 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]quinoline-4-carboxylic 2-[methyl-[(3R)-tetrahydrothioph…

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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) 2.83 9.7 -40.62 1 4 0 58 288.372 3 ↓
Mid Mid (pH 6-8) 2.83 9.44 -47.37 0 4 -1 56 287.364 3 ↓

Analogs

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Popular Name: 2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]quinoline-4-carboxylic 2-[methyl-[(3S)-tetrahydrothioph…

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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) 2.83 9.62 -41.1 1 4 0 58 288.372 3 ↓
Mid Mid (pH 6-8) 2.83 9.41 -47.18 0 4 -1 56 287.364 3 ↓

Parameters Provided:

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