UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-methoxyphenyl)-1H-pyrazol-5-amine 4-(3-methoxyphenyl)-1H-pyrazol-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) 1.68 2.88 -7.42 3 4 0 64 189.218 2 ↓
Lo Low (pH 4.5-6) 1.68 3.04 -33.53 4 4 1 65 190.226 2 ↓

Analogs

34589215
34589215
39369296
39369296
3637805
3637805
8550611
8550611

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Popular Name: 4-p-Tolyl-1H-pyrazol-3-ylamine 4-p-Tolyl-1H-pyrazol-3-ylamine

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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) 2.10 -1.93 -6.51 3 3 0 55 173.219 1 ↓

Analogs

32497108
32497108

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Popular Name: 4-(4-Bromophenyl)-1H-pyrazol-3-ylamine 4-(4-Bromophenyl)-1H-pyrazol-3-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) 2.46 -3.01 -6.35 3 3 0 55 238.088 1 ↓

Analogs

39166306
39166306
39369296
39369296
3636114
3636114

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Popular Name: 4-(3-methylphenyl)-1H-pyrazol-3-amine 4-(3-methylphenyl)-1H-pyrazol-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) 2.07 -1.93 -6.54 3 3 0 55 173.219 1 ↓

Analogs

8699895
8699895

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Popular Name: 4-(3-chlorophenyl)-1H-pyrazol-3-amine 4-(3-chlorophenyl)-1H-pyrazol-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) 2.30 -2.4 -6.87 3 3 0 55 193.637 1 ↓

Analogs

39166304
39166304

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Popular Name: 4-(2-bromophenyl)-1H-pyrazol-3-amine 4-(2-bromophenyl)-1H-pyrazol-3-a…

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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) 2.41 -3.06 -6.66 3 3 0 55 238.088 1 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)-1H-pyrazol-3-amine 4-(2-fluorophenyl)-1H-pyrazol-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) 1.77 3.58 -8.13 3 3 0 55 177.182 1 ↓

Analogs

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Popular Name: (2S)-2-amino-4-(4-phenylpyrazol-1-yl)butanoic (2S)-2-amino-4-(4-phenylpyrazol-…

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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) -0.97 5.53 -46.08 3 5 0 86 245.282 5 ↓
Hi High (pH 8-9.5) -0.97 5.21 -49.83 2 5 -1 84 244.274 5 ↓

Analogs

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Popular Name: (2R)-2-amino-4-(4-phenylpyrazol-1-yl)butanoic (2R)-2-amino-4-(4-phenylpyrazol-…

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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) -0.97 5.51 -50.48 3 5 0 86 245.282 5 ↓
Hi High (pH 8-9.5) -0.97 5.2 -46.84 2 5 -1 84 244.274 5 ↓

Analogs

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Popular Name: (2S)-2-amino-4-(4-phenylpyrazol-1-yl)butanamide (2S)-2-amino-4-(4-phenylpyrazol-…

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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) 0.54 1.59 -54.57 5 5 1 89 245.306 5 ↓
Mid Mid (pH 6-8) 0.54 1.25 -14.71 4 5 0 87 244.298 5 ↓

Analogs

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Popular Name: (2R)-2-amino-4-(4-phenylpyrazol-1-yl)butanamide (2R)-2-amino-4-(4-phenylpyrazol-…

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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) 0.54 1.59 -55.98 5 5 1 89 245.306 5 ↓
Mid Mid (pH 6-8) 0.54 1.29 -10.72 4 5 0 87 244.298 5 ↓

Analogs

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Popular Name: (2S)-4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanoic (2S)-4-(4-phenylpyrazol-1-yl)-2-…

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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) 0.82 8.89 -41.35 2 5 0 75 287.363 8 ↓
Hi High (pH 8-9.5) 0.82 7.78 -53.19 1 5 -1 70 286.355 8 ↓

Analogs

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Popular Name: (2R)-4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanoic (2R)-4-(4-phenylpyrazol-1-yl)-2-…

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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) 0.82 8.85 -44.73 2 5 0 75 287.363 8 ↓
Hi High (pH 8-9.5) 0.82 7.89 -48.54 1 5 -1 70 286.355 8 ↓

Analogs

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Popular Name: (2S)-4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanamide (2S)-4-(4-phenylpyrazol-1-yl)-2-…

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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) 2.32 5.04 -48.44 4 5 1 78 287.387 8 ↓
Hi High (pH 8-9.5) 2.32 3.91 -14.81 3 5 0 73 286.379 8 ↓

Analogs

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Popular Name: (2R)-4-(4-phenylpyrazol-1-yl)-2-(propylamino)butanamide (2R)-4-(4-phenylpyrazol-1-yl)-2-…

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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) 2.32 5.04 -49.42 4 5 1 78 287.387 8 ↓
Hi High (pH 8-9.5) 2.32 4.01 -10.02 3 5 0 73 286.379 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) 2.39 7.12 -12.37 1 5 0 56 287.363 8 ↓
Mid Mid (pH 6-8) 2.39 8.15 -46.83 2 5 1 61 288.371 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) 2.39 7.19 -8.66 1 5 0 56 287.363 8 ↓
Mid Mid (pH 6-8) 2.39 8.15 -49.07 2 5 1 61 288.371 8 ↓

Analogs

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Popular Name: (2S)-2-(ethylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2S)-2-(ethylamino)-4-(4-phenylp…

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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) 0.32 8.13 -41.26 2 5 0 75 273.336 7 ↓
Hi High (pH 8-9.5) 0.32 7 -53.04 1 5 -1 70 272.328 7 ↓

Analogs

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Popular Name: (2R)-2-(ethylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2R)-2-(ethylamino)-4-(4-phenylp…

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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) 0.32 8.09 -44.59 2 5 0 75 273.336 7 ↓
Hi High (pH 8-9.5) 0.32 7.12 -48.34 1 5 -1 70 272.328 7 ↓

Analogs

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Popular Name: (2S)-2-(ethylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2S)-2-(ethylamino)-4-(4-phenylp…

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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) 1.82 4.26 -47.69 4 5 1 78 273.36 7 ↓
Hi High (pH 8-9.5) 1.82 3.16 -14.88 3 5 0 73 272.352 7 ↓

Analogs

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Popular Name: (2R)-2-(ethylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2R)-2-(ethylamino)-4-(4-phenylp…

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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) 1.82 4.27 -48.54 4 5 1 78 273.36 7 ↓
Hi High (pH 8-9.5) 1.82 3.25 -10.06 3 5 0 73 272.352 7 ↓

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) 2.39 7.11 -11.94 1 5 0 56 287.363 8 ↓
Mid Mid (pH 6-8) 2.39 8.31 -50.85 2 5 1 61 288.371 8 ↓

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) 2.39 7.17 -10.22 1 5 0 56 287.363 8 ↓
Mid Mid (pH 6-8) 2.39 8.31 -48.85 2 5 1 61 288.371 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) 2.02 6.19 -12.81 1 5 0 56 273.336 7 ↓
Mid Mid (pH 6-8) 2.02 7.37 -49.16 2 5 1 61 274.344 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) 2.02 6.24 -8.98 1 5 0 56 273.336 7 ↓
Mid Mid (pH 6-8) 2.02 7.38 -51.06 2 5 1 61 274.344 7 ↓

Analogs

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Popular Name: (2S)-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2S)-2-(methylamino)-4-(4-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) -0.06 7.22 -42.4 2 5 0 75 259.309 6 ↓
Hi High (pH 8-9.5) -0.06 6.11 -52.01 1 5 -1 70 258.301 6 ↓

Analogs

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Popular Name: (2R)-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2R)-2-(methylamino)-4-(4-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) -0.06 7.3 -47.38 2 5 0 75 259.309 6 ↓
Hi High (pH 8-9.5) -0.06 6.18 -48.04 1 5 -1 70 258.301 6 ↓

Analogs

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Popular Name: (2S)-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2S)-2-(methylamino)-4-(4-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) 1.45 3.45 -48.75 4 5 1 78 259.333 6 ↓
Hi High (pH 8-9.5) 1.45 2.24 -14.98 3 5 0 73 258.325 6 ↓

Analogs

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Popular Name: (2R)-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2R)-2-(methylamino)-4-(4-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) 1.45 3.45 -49.91 4 5 1 78 259.333 6 ↓
Hi High (pH 8-9.5) 1.45 2.35 -10.19 3 5 0 73 258.325 6 ↓

Analogs

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Popular Name: (2S)-2-(isopropylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2S)-2-(isopropylamino)-4-(4-phe…

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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) 0.62 8.59 -39.24 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.62 7.68 -53.55 1 5 -1 70 286.355 7 ↓

Analogs

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Popular Name: (2R)-2-(isopropylamino)-4-(4-phenylpyrazol-1-yl)butanoic (2R)-2-(isopropylamino)-4-(4-phe…

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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) 0.62 8.64 -43.82 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.62 7.62 -47.64 1 5 -1 70 286.355 7 ↓

Analogs

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Popular Name: (2S)-2-(isopropylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2S)-2-(isopropylamino)-4-(4-phe…

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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) 2.12 4.78 -45.49 4 5 1 78 287.387 7 ↓
Hi High (pH 8-9.5) 2.12 3.83 -14.66 3 5 0 73 286.379 7 ↓

Analogs

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Popular Name: (2R)-2-(isopropylamino)-4-(4-phenylpyrazol-1-yl)butanamide (2R)-2-(isopropylamino)-4-(4-phe…

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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) 2.12 4.67 -47.44 4 5 1 78 287.387 7 ↓
Hi High (pH 8-9.5) 2.12 3.86 -9.22 3 5 0 73 286.379 7 ↓

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) 1.48 6.24 -8.85 2 5 0 70 273.336 7 ↓
Mid Mid (pH 6-8) 1.48 6.54 -56.34 3 5 1 72 274.344 7 ↓

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) 1.48 6.2 -11.63 2 5 0 70 273.336 7 ↓
Mid Mid (pH 6-8) 1.48 6.55 -53.6 3 5 1 72 274.344 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) 1.11 5.3 -9.03 2 5 0 70 259.309 6 ↓
Mid Mid (pH 6-8) 1.11 5.62 -56.58 3 5 1 72 260.317 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) 1.11 5.27 -11.82 2 5 0 70 259.309 6 ↓
Mid Mid (pH 6-8) 1.11 5.62 -53.88 3 5 1 72 260.317 6 ↓

Analogs

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Popular Name: 3-(4-phenylpyrazol-1-yl)propanal 3-(4-phenylpyrazol-1-yl)propanal

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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) 2.20 6.49 -10.6 0 3 0 35 200.241 4 ↓

Analogs

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Popular Name: 5-tert-butyl-4-(2-chloro-4-fluoro-phenyl)-2-methyl-pyrazol-3-amine 5-tert-butyl-4-(2-chloro-4-fluor…

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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) 4.43 7.38 -27.74 3 3 1 45 282.77 2 ↓
Mid Mid (pH 6-8) 4.43 7.27 -6.3 2 3 0 44 281.762 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-isopropyl-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-5-i…

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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 7.3 -28.1 3 3 1 45 268.743 2 ↓
Mid Mid (pH 6-8) 3.77 7.18 -6.27 2 3 0 44 267.735 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-(2,2-dimethylpropyl)-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.61 8.2 -28.76 3 3 1 45 296.797 3 ↓
Mid Mid (pH 6-8) 4.61 8.09 -5.81 2 3 0 44 295.789 3 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-(1-ethylpropyl)-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.45 8.56 -28.28 3 3 1 45 296.797 4 ↓
Mid Mid (pH 6-8) 4.45 8.45 -5.96 2 3 0 44 295.789 4 ↓

Analogs

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Popular Name: 5-butyl-4-(2-chloro-4-fluoro-phenyl)-2-methyl-pyrazol-3-amine 5-butyl-4-(2-chloro-4-fluoro-phe…

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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 8.19 -6.26 2 3 0 44 281.762 4 ↓
Lo Low (pH 4.5-6) 4.34 8.23 -29.71 3 3 1 45 282.77 4 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-isopentyl-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-5-i…

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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) 4.56 8.73 -29.85 3 3 1 45 296.797 4 ↓
Mid Mid (pH 6-8) 4.56 8.7 -6.16 2 3 0 44 295.789 4 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1R)-1-methylbutyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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) 4.67 8.71 -28.73 3 3 1 45 296.797 4 ↓
Mid Mid (pH 6-8) 4.67 8.59 -6.09 2 3 0 44 295.789 4 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1S)-1-methylbutyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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) 4.67 8.71 -28.67 3 3 1 45 296.797 4 ↓
Mid Mid (pH 6-8) 4.67 8.59 -6.01 2 3 0 44 295.789 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2,5…

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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) 2.71 6.02 -29.38 3 3 1 45 240.689 1 ↓
Mid Mid (pH 6-8) 2.71 5.89 -6.65 2 3 0 44 239.681 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-isobutyl-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-5-i…

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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 8.06 -28.84 3 3 1 45 282.77 3 ↓
Mid Mid (pH 6-8) 4.03 8 -5.96 2 3 0 44 281.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1R)-1-methylpropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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) 4.11 7.95 -28.41 3 3 1 45 282.77 3 ↓
Mid Mid (pH 6-8) 4.11 7.82 -6.2 2 3 0 44 281.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1S)-1-methylpropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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) 4.11 7.95 -28.4 3 3 1 45 282.77 3 ↓
Mid Mid (pH 6-8) 4.11 7.82 -6.16 2 3 0 44 281.762 3 ↓

Parameters Provided:

ring.id = 7590
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 7590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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