UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38458169
38458169
38476252
38476252

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Popular Name: DNC012974 DNC012974

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 4480 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 4480 0.42 Binding ≤ 10μM

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) 3.59 9.05 -8.25 0 3 0 31 255.708 2 ↓
Lo Low (pH 4.5-6) 3.59 9.33 -38.93 1 3 1 32 256.716 2 ↓

Analogs

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Popular Name: 2-bromo-6-(4-phenylpyrazol-1-yl)pyridine 2-bromo-6-(4-phenylpyrazol-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) 4.06 9.03 -7.8 0 3 0 31 300.159 2 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)-5-(trifluoromethyl)pyridine 2-(4-phenylpyrazol-1-yl)-5-(trif…

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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) 3.81 9.48 -6.32 0 3 0 31 289.26 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine 2-(4-phenylpyrazol-1-yl)pyridine

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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) 2.91 8.53 -8.51 0 3 0 31 221.263 2 ↓

Analogs

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Popular Name: 4-methyl-2-(4-phenylpyrazol-1-yl)pyridine 4-methyl-2-(4-phenylpyrazol-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) 3.31 9.2 -8.41 0 3 0 31 235.29 2 ↓

Analogs

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Popular Name: 5-amino-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile 5-amino-2-(4-phenylpyrazol-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) 2.24 6.76 -12.89 2 5 0 81 261.288 2 ↓

Analogs

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Popular Name: 2-ethoxy-6-(4-phenylpyrazol-1-yl)pyridin-3-amine 2-ethoxy-6-(4-phenylpyrazol-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) 3.12 6.02 -8.15 2 5 0 66 280.331 4 ↓

Analogs

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Popular Name: 2-methoxy-6-(4-phenylpyrazol-1-yl)pyridin-3-amine 2-methoxy-6-(4-phenylpyrazol-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) 2.74 5.07 -8.31 2 5 0 66 266.304 3 ↓

Analogs

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Popular Name: 5-methyl-6-(4-phenylpyrazol-1-yl)pyridin-3-amine 5-methyl-6-(4-phenylpyrazol-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) 2.94 7.28 -8.97 2 4 0 57 250.305 2 ↓

Analogs

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Popular Name: 5-bromo-2-(4-phenylpyrazol-1-yl)pyridin-3-amine 5-bromo-2-(4-phenylpyrazol-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) 3.30 7.48 -6.27 2 4 0 57 315.174 2 ↓

Analogs

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Popular Name: 5-amino-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide 5-amino-2-(4-phenylpyrazol-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) 1.31 3.51 -18.2 4 6 0 100 279.303 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridin-4-amine 2-(4-phenylpyrazol-1-yl)pyridin-…

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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) 1.94 6.39 -8.99 2 4 0 57 236.278 2 ↓
Lo Low (pH 4.5-6) 1.94 6.82 -34.85 3 4 1 58 237.286 2 ↓

Analogs

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Popular Name: [2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanamine [2-(4-phenylpyrazol-1-yl)-3-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) 2.04 7.18 -41.86 3 4 1 58 251.313 3 ↓
Mid Mid (pH 6-8) 2.04 6.7 -8.79 2 4 0 57 250.305 3 ↓

Analogs

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Popular Name: [2-(4-phenylpyrazol-1-yl)-4-pyridyl]methanamine [2-(4-phenylpyrazol-1-yl)-4-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) 2.04 6.54 -53.22 3 4 1 58 251.313 3 ↓
Mid Mid (pH 6-8) 2.04 6.15 -9.08 2 4 0 57 250.305 3 ↓

Analogs

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Popular Name: [6-(4-phenylpyrazol-1-yl)-3-pyridyl]methanamine [6-(4-phenylpyrazol-1-yl)-3-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) 2.10 6.53 -55.66 3 4 1 58 251.313 3 ↓
Mid Mid (pH 6-8) 2.10 6.13 -7.95 2 4 0 57 250.305 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanamine [4,6-dimethyl-2-(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) 2.86 8.15 -42.19 3 4 1 58 279.367 3 ↓
Mid Mid (pH 6-8) 2.86 7.72 -7.66 2 4 0 57 278.359 3 ↓

Analogs

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Popular Name: [6-methyl-2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanamine [6-methyl-2-(4-phenylpyrazol-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) 2.10 7.79 -41.99 3 4 1 58 265.34 3 ↓
Mid Mid (pH 6-8) 2.10 7.31 -8.88 2 4 0 57 264.332 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-4-carboxylic 2-(4-phenylpyrazol-1-yl)pyridine…

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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 9.1 -49.69 0 5 -1 71 264.264 3 ↓

Analogs

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Popular Name: 5-chloro-6-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic 5-chloro-6-(4-phenylpyrazol-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) 3.09 9.71 -42 0 5 -1 71 298.709 3 ↓

Analogs

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Popular Name: 3-chloro-6-(4-phenylpyrazol-1-yl)pyridine-2-carboxylic 3-chloro-6-(4-phenylpyrazol-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) 3.57 9.49 -50.38 0 5 -1 71 298.709 3 ↓

Analogs

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Popular Name: 2-chloro-6-(4-phenylpyrazol-1-yl)pyridine-4-carboxylic 2-chloro-6-(4-phenylpyrazol-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) 3.79 9.51 -43.83 0 5 -1 71 298.709 3 ↓

Analogs

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Popular Name: 5-bromo-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxylic 5-bromo-2-(4-phenylpyrazol-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) 3.39 9.91 -50.03 0 5 -1 71 343.16 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-4-carbonitrile 2-(4-phenylpyrazol-1-yl)pyridine…

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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 8.91 -9.78 0 4 0 55 246.273 2 ↓

Analogs

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Popular Name: 6-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile 6-(4-phenylpyrazol-1-yl)pyridine…

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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) 2.67 8.93 -8.37 0 4 0 55 246.273 2 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile 2-(4-phenylpyrazol-1-yl)pyridine…

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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 8.9 -13.19 0 4 0 55 246.273 2 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile 4,6-dimethyl-2-(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) 3.43 10.02 -12.28 0 4 0 55 274.327 2 ↓

Analogs

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Popular Name: 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile 6-methyl-2-(4-phenylpyrazol-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) 2.67 9.52 -12.48 0 4 0 55 260.3 2 ↓

Analogs

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Popular Name: 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carbothioamide 6-methyl-2-(4-phenylpyrazol-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) 2.71 8.42 -19.14 2 4 0 57 294.383 3 ↓

Analogs

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Popular Name: 6-(4-phenylpyrazol-1-yl)pyridine-3-carbothioamide 6-(4-phenylpyrazol-1-yl)pyridine…

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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 7.76 -14.98 2 4 0 57 280.356 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-4-carbothioamide 2-(4-phenylpyrazol-1-yl)pyridine…

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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) 2.66 7.75 -19.4 2 4 0 57 280.356 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-3-carbothioamide 2-(4-phenylpyrazol-1-yl)pyridine…

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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) 2.66 7.74 -19.77 2 4 0 57 280.356 3 ↓

Analogs

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Popular Name: N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamidine N'-hydroxy-2-(4-phenylpyrazol-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) 1.17 5.06 -10.62 3 6 0 89 279.303 3 ↓

Analogs

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Popular Name: N'-hydroxy-6-(4-phenylpyrazol-1-yl)pyridine-3-carboxamidine N'-hydroxy-6-(4-phenylpyrazol-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) 1.23 5.21 -10.49 3 6 0 89 279.303 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamidine 2-(4-phenylpyrazol-1-yl)pyridine…

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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) 1.25 6.15 -33.13 4 5 1 82 264.312 3 ↓

Analogs

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Popular Name: 6-(4-phenylpyrazol-1-yl)pyridine-3-carboxamidine 6-(4-phenylpyrazol-1-yl)pyridine…

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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) 1.30 6.39 -41.79 4 5 1 82 264.312 3 ↓

Analogs

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Popular Name: 2-(4-phenylpyrazol-1-yl)pyridine-4-carboxamidine 2-(4-phenylpyrazol-1-yl)pyridine…

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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) 1.25 6.42 -40.6 4 5 1 82 264.312 3 ↓

Analogs

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Popular Name: 6-methyl-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamidine 6-methyl-2-(4-phenylpyrazol-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) 1.30 6.74 -32.87 4 5 1 82 278.339 3 ↓

Analogs

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Popular Name: 6-chloro-3-nitro-2-(4-phenylpyrazol-1-yl)pyridine 6-chloro-3-nitro-2-(4-phenylpyra…

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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) 3.84 9.84 -11.98 0 6 0 77 300.705 3 ↓

Analogs

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Popular Name: 2-fluoro-6-(4-phenylpyrazol-1-yl)pyridine 2-fluoro-6-(4-phenylpyrazol-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) 3.41 8.47 -8.68 0 3 0 31 239.253 2 ↓

Analogs

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Popular Name: [6-(4-phenylpyrazol-1-yl)-2-pyridyl]methanol [6-(4-phenylpyrazol-1-yl)-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) 2.32 5.97 -8.72 1 4 0 51 251.289 3 ↓

Analogs

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Popular Name: [2-(4-phenylpyrazol-1-yl)-4-pyridyl]methanol [2-(4-phenylpyrazol-1-yl)-4-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) 2.20 5.83 -10.57 1 4 0 51 251.289 3 ↓

Analogs

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Popular Name: [2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanol [2-(4-phenylpyrazol-1-yl)-3-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) 2.20 6.17 -8.88 1 4 0 51 251.289 3 ↓

Analogs

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Popular Name: [3-chloro-6-(4-phenylpyrazol-1-yl)-2-pyridyl]methanol [3-chloro-6-(4-phenylpyrazol-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 6.19 -8.57 1 4 0 51 285.734 3 ↓

Analogs

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Popular Name: [4,6-dimethyl-2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanol [4,6-dimethyl-2-(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) 3.01 7.38 -10.72 1 4 0 51 279.343 3 ↓

Analogs

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Popular Name: [6-(4-phenylpyrazol-1-yl)-3-pyridyl]methanol [6-(4-phenylpyrazol-1-yl)-3-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) 2.25 5.82 -9.83 1 4 0 51 251.289 3 ↓

Analogs

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Popular Name: [5-chloro-6-(4-phenylpyrazol-1-yl)-3-pyridyl]methanol [5-chloro-6-(4-phenylpyrazol-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) 2.86 6.45 -10.3 1 4 0 51 285.734 3 ↓

Analogs

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Popular Name: [5-bromo-2-(4-phenylpyrazol-1-yl)-3-pyridyl]methanol [5-bromo-2-(4-phenylpyrazol-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) 3.15 6.77 -6.77 1 4 0 51 330.185 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-6-(4-phenylpyrazol-1-yl)pyridine 2-(chloromethyl)-6-(4-phenylpyra…

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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) 3.55 9.72 -8.98 0 3 0 31 269.735 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine 4-(chloromethyl)-2-(4-phenylpyra…

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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) 3.44 9.8 -9.01 0 3 0 31 269.735 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine 3-(chloromethyl)-2-(4-phenylpyra…

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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) 3.44 10.06 -8.77 0 3 0 31 269.735 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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