UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinolin-5-amine 6-[(3R)-3-(dimethylamino)pyrroli…

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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) 1.88 6.48 -41.71 3 4 1 47 257.361 2 ↓
Hi High (pH 8-9.5) 1.88 4.09 -6.21 2 4 0 45 256.353 2 ↓
Mid Mid (pH 6-8) 1.88 6.92 -76.12 4 4 2 48 258.369 2 ↓

Analogs

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Popular Name: 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinolin-5-amine 6-[(3S)-3-(dimethylamino)pyrroli…

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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) 1.88 6.49 -41.2 3 4 1 47 257.361 2 ↓
Hi High (pH 8-9.5) 1.88 4.1 -6.68 2 4 0 45 256.353 2 ↓
Mid Mid (pH 6-8) 1.88 6.93 -75.73 4 4 2 48 258.369 2 ↓

Analogs

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Popular Name: 6-[(3R)-3-(diethylamino)pyrrolidin-1-yl]quinolin-5-amine 6-[(3R)-3-(diethylamino)pyrrolid…

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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 7.54 -39.56 3 4 1 47 285.415 4 ↓
Hi High (pH 8-9.5) 2.64 5.42 -6.07 2 4 0 45 284.407 4 ↓
Mid Mid (pH 6-8) 2.64 7.94 -74.87 4 4 2 48 286.423 4 ↓

Analogs

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Popular Name: 6-[(3S)-3-(diethylamino)pyrrolidin-1-yl]quinolin-5-amine 6-[(3S)-3-(diethylamino)pyrrolid…

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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 7.54 -38.95 3 4 1 47 285.415 4 ↓
Hi High (pH 8-9.5) 2.64 5.47 -6.1 2 4 0 45 284.407 4 ↓
Mid Mid (pH 6-8) 2.64 7.93 -74.29 4 4 2 48 286.423 4 ↓

Analogs

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Popular Name: 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-3-carbonitrile 4-oxo-6-pyrrolidin-1-yl-1H-quino…

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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) 2.17 5.04 -43.88 0 4 -1 63 238.27 1 ↓
Mid Mid (pH 6-8) 0.87 6.47 -22.54 1 4 0 60 239.278 1 ↓

Analogs

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Popular Name: 4-chloro-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-chloro-6-pyrrolidin-1-yl-quino…

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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) 3.07 7.33 -5.79 0 3 0 40 257.724 1 ↓

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) 3.52 8.48 -7.18 0 4 0 42 304.777 4 ↓

Analogs

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Popular Name: 4-chloro-6-pyrrolidin-1-yl-quinoline 4-chloro-6-pyrrolidin-1-yl-quino…

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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 7.01 -5.64 0 2 0 16 232.714 1 ↓

Analogs

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Popular Name: 6-pyrrolidin-1-yl-2-(trifluoromethyl)-1H-quinolin-4-one 6-pyrrolidin-1-yl-2-(trifluorome…

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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) 3.79 5.62 -44.81 0 3 -1 39 281.257 2 ↓
Mid Mid (pH 6-8) 2.49 6.95 -10.82 1 3 0 36 282.265 2 ↓

Analogs

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Popular Name: 4-chloro-2-methyl-6-pyrrolidin-1-yl-quinoline 4-chloro-2-methyl-6-pyrrolidin-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) 3.77 7.62 -5.79 0 2 0 16 246.741 1 ↓

Analogs

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Popular Name: 4-chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)quinoline 4-chloro-6-pyrrolidin-1-yl-2-(tr…

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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) 4.68 8.03 -4.97 0 2 0 16 300.711 2 ↓

Analogs

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Popular Name: 4-chloro-2-ethyl-6-pyrrolidin-1-yl-quinoline 4-chloro-2-ethyl-6-pyrrolidin-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) 4.34 8.44 -5.44 0 2 0 16 260.768 2 ↓

Analogs

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Popular Name: 4-chloro-2-isopropyl-6-pyrrolidin-1-yl-quinoline 4-chloro-2-isopropyl-6-pyrrolidi…

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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) 4.83 8.84 -5.34 0 2 0 16 274.795 2 ↓

Analogs

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Popular Name: 4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-yl-quinoline 4-chloro-2-(methoxymethyl)-6-pyr…

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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) 3.74 6.85 -5.74 0 3 0 25 276.767 3 ↓

Analogs

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Popular Name: 4-chloro-2-(difluoromethyl)-6-pyrrolidin-1-yl-quinoline 4-chloro-2-(difluoromethyl)-6-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) 4.33 7.91 -6.36 0 2 0 16 282.721 2 ↓

Analogs

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Popular Name: 4-chloro-2,3-dimethyl-6-pyrrolidin-1-yl-quinoline 4-chloro-2,3-dimethyl-6-pyrrolid…

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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) 4.15 8.09 -6.37 0 2 0 16 260.768 1 ↓
Lo Low (pH 4.5-6) 4.15 8.48 -26.25 1 2 1 17 261.776 1 ↓

Analogs

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Popular Name: 4-amino-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-amino-6-pyrrolidin-1-yl-quinol…

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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) 1.87 4.95 -6.85 2 4 0 66 238.294 1 ↓
Lo Low (pH 4.5-6) 1.87 5.36 -33.16 3 4 1 67 239.302 1 ↓

Analogs

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Popular Name: 4-(methylamino)-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-(methylamino)-6-pyrrolidin-1-y…

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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 5.53 -6.65 1 4 0 52 252.321 2 ↓
Lo Low (pH 4.5-6) 2.25 5.95 -32.03 2 4 1 53 253.329 2 ↓

Analogs

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Popular Name: 4-(ethylamino)-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-(ethylamino)-6-pyrrolidin-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) 2.62 6.33 -6.36 1 4 0 52 266.348 3 ↓
Lo Low (pH 4.5-6) 2.62 6.74 -31.76 2 4 1 53 267.356 3 ↓

Analogs

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Popular Name: 4-(propylamino)-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-(propylamino)-6-pyrrolidin-1-y…

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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 7.09 -6.3 1 4 0 52 280.375 4 ↓
Lo Low (pH 4.5-6) 3.13 7.51 -31.89 2 4 1 53 281.383 4 ↓

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) 2.33 6.74 -28.24 3 5 1 70 286.355 4 ↓
Mid Mid (pH 6-8) 2.33 6.34 -6.81 2 5 0 68 285.347 4 ↓

Analogs

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Popular Name: N-propyl-6-pyrrolidin-1-yl-quinolin-4-amine N-propyl-6-pyrrolidin-1-yl-quino…

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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) 3.39 7.5 -26.03 2 3 1 29 256.373 4 ↓

Analogs

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Popular Name: 6-pyrrolidin-1-ylquinolin-4-amine 6-pyrrolidin-1-ylquinolin-4-amine

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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 4.98 -27.02 3 3 1 43 214.292 1 ↓
Hi High (pH 8-9.5) 2.14 4.56 -7.17 2 3 0 42 213.284 1 ↓

Analogs

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Popular Name: N-methyl-6-pyrrolidin-1-yl-quinolin-4-amine N-methyl-6-pyrrolidin-1-yl-quino…

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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) 2.51 5.92 -26.2 2 3 1 29 228.319 2 ↓

Analogs

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Popular Name: N-ethyl-6-pyrrolidin-1-yl-quinolin-4-amine N-ethyl-6-pyrrolidin-1-yl-quinol…

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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 6.73 -25.98 2 3 1 29 242.346 3 ↓

Analogs

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Popular Name: 2-(difluoromethyl)-6-pyrrolidin-1-yl-quinolin-4-amine 2-(difluoromethyl)-6-pyrrolidin-…

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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 5.47 -8.37 2 3 0 42 263.291 2 ↓
Mid Mid (pH 6-8) 3.13 5.84 -25.49 3 3 1 43 264.299 2 ↓

Analogs

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Popular Name: 2-(difluoromethyl)-N-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-(difluoromethyl)-N-methyl-6-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) 3.51 6.41 -8.33 1 3 0 28 277.318 3 ↓
Mid Mid (pH 6-8) 3.51 6.77 -24.39 2 3 1 29 278.326 3 ↓

Analogs

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Popular Name: 2-(methoxymethyl)-6-pyrrolidin-1-yl-quinolin-4-amine 2-(methoxymethyl)-6-pyrrolidin-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) 2.55 4.8 -23.89 3 4 1 53 258.345 3 ↓
Hi High (pH 8-9.5) 2.55 4.41 -7.4 2 4 0 51 257.337 3 ↓

Analogs

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Popular Name: 2-(difluoromethyl)-N-ethyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-(difluoromethyl)-N-ethyl-6-pyr…

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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 7.22 -7.9 1 3 0 28 291.345 4 ↓
Mid Mid (pH 6-8) 3.88 7.59 -23.98 2 3 1 29 292.353 4 ↓

Analogs

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Popular Name: 2-(methoxymethyl)-N-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-(methoxymethyl)-N-methyl-6-pyr…

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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) 2.92 5.72 -23.16 2 4 1 39 272.372 4 ↓
Hi High (pH 8-9.5) 2.92 5.34 -7.67 1 4 0 37 271.364 4 ↓

Analogs

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Popular Name: N-ethyl-2-(methoxymethyl)-6-pyrrolidin-1-yl-quinolin-4-amine N-ethyl-2-(methoxymethyl)-6-pyrr…

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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) 3.30 6.54 -22.77 2 4 1 39 286.399 5 ↓
Hi High (pH 8-9.5) 3.30 6.16 -7.22 1 4 0 37 285.391 5 ↓

Analogs

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Popular Name: 6-pyrrolidin-1-yl-2-(trifluoromethyl)quinolin-4-amine 6-pyrrolidin-1-yl-2-(trifluorome…

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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) 3.49 5.59 -7.52 2 3 0 42 281.281 2 ↓

Analogs

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Popular Name: 3-ethyl-2-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 3-ethyl-2-methyl-6-pyrrolidin-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) 3.42 6.93 -23.15 3 3 1 43 256.373 2 ↓

Analogs

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Popular Name: 2-tert-butyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-tert-butyl-6-pyrrolidin-1-yl-q…

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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 7.36 -22 3 3 1 43 270.4 2 ↓

Analogs

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Popular Name: 2-ethyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-ethyl-6-pyrrolidin-1-yl-quinol…

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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 6.3 -23.33 3 3 1 43 242.346 2 ↓

Analogs

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Popular Name: 2-isopropyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-isopropyl-6-pyrrolidin-1-yl-qu…

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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 6.77 -22.66 3 3 1 43 256.373 2 ↓

Analogs

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Popular Name: 2,3-dimethyl-6-pyrrolidin-1-yl-quinolin-4-amine 2,3-dimethyl-6-pyrrolidin-1-yl-q…

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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 6.18 -23.26 3 3 1 43 242.346 1 ↓

Analogs

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Popular Name: N,2-dimethyl-6-pyrrolidin-1-yl-quinolin-4-amine N,2-dimethyl-6-pyrrolidin-1-yl-q…

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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 6.49 -23.19 2 3 1 29 242.346 2 ↓

Analogs

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Popular Name: 2-methyl-N-propyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-methyl-N-propyl-6-pyrrolidin-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) 3.83 8.07 -22.96 2 3 1 29 270.4 4 ↓

Analogs

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Popular Name: N-methyl-6-pyrrolidin-1-yl-2-(trifluoromethyl)quinolin-4-amine N-methyl-6-pyrrolidin-1-yl-2-(tr…

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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) 3.86 6.52 -7.4 1 3 0 28 295.308 3 ↓
Lo Low (pH 4.5-6) 3.86 6.93 -22.91 2 3 1 29 296.316 3 ↓

Analogs

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Popular Name: 3-ethyl-N,2-dimethyl-6-pyrrolidin-1-yl-quinolin-4-amine 3-ethyl-N,2-dimethyl-6-pyrrolidi…

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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) 3.79 7.41 -22.56 2 3 1 29 270.4 3 ↓

Analogs

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Popular Name: N-methyl-2-propyl-6-pyrrolidin-1-yl-quinolin-4-amine N-methyl-2-propyl-6-pyrrolidin-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) 4.03 8 -22.71 2 3 1 29 270.4 4 ↓

Analogs

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Popular Name: 2-ethyl-N-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-ethyl-N-methyl-6-pyrrolidin-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) 3.52 7.22 -22.51 2 3 1 29 256.373 3 ↓

Analogs

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Popular Name: N,2-diethyl-6-pyrrolidin-1-yl-quinolin-4-amine N,2-diethyl-6-pyrrolidin-1-yl-qu…

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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) 3.90 8.04 -22.17 2 3 1 29 270.4 4 ↓

Analogs

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Popular Name: 2-isopropyl-N-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 2-isopropyl-N-methyl-6-pyrrolidi…

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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) 4.01 7.95 -21.47 2 3 1 29 270.4 3 ↓

Analogs

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Popular Name: N,2,3-trimethyl-6-pyrrolidin-1-yl-quinolin-4-amine N,2,3-trimethyl-6-pyrrolidin-1-y…

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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 6.78 -22.78 2 3 1 29 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2,3-dimethyl-6-pyrrolidin-1-yl-quinolin-4-amine N-ethyl-2,3-dimethyl-6-pyrrolidi…

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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) 3.70 7.59 -22.51 2 3 1 29 270.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-2-methyl-6-pyrrolidin-1-yl-quinolin-4-amine 3-isopropyl-2-methyl-6-pyrrolidi…

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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) 3.54 7.74 -22.87 3 3 1 43 270.4 2 ↓

Analogs

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Popular Name: 4-hydrazino-6-pyrrolidin-1-yl-quinoline-3-carbonitrile 4-hydrazino-6-pyrrolidin-1-yl-qu…

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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) 1.63 4.58 -7.59 3 5 0 78 253.309 2 ↓
Lo Low (pH 4.5-6) 1.63 5.03 -33.82 4 5 1 79 254.317 2 ↓

Analogs

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Popular Name: (6-pyrrolidin-1-yl-4-quinolyl)hydrazine (6-pyrrolidin-1-yl-4-quinolyl)hy…

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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) 1.90 4.72 -26.66 4 4 1 55 229.307 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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