UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [[[3-[(2,5-dimethylphenyl)methoxy]-6-methyl-2-pyridyl]amino]-phosphono-methyl]phosphonic [[[3-[(2,5-dimethylphenyl)methox…

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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 4.41 -176.04 3 9 -2 159 414.291 7 ↓

Analogs

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Popular Name: 3-[(2,4,6-trimethylphenyl)methoxy]pyridin-2-amine 3-[(2,4,6-trimethylphenyl)methox…

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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 7.09 -31.07 3 3 1 49 243.33 3 ↓
Mid Mid (pH 6-8) 3.33 6.61 -5.66 2 3 0 48 242.322 3 ↓

Analogs

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Popular Name: 6-methyl-3-[(2,4,6-trimethylphenyl)methoxy]pyridin-2-amine 6-methyl-3-[(2,4,6-trimethylphen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 7.69 -28.16 3 3 1 49 257.357 3 ↓
Hi High (pH 8-9.5) 3.38 7.26 -5.83 2 3 0 48 256.349 3 ↓

Analogs

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Popular Name: 3-[(2,4,6-trimethylphenyl)methoxy]pyridine-2-carboxylic 3-[(2,4,6-trimethylphenyl)methox…

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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 9.08 -61.91 0 4 -1 62 270.308 4 ↓
Lo Low (pH 4.5-6) 3.53 9.49 -46.09 1 4 0 63 271.316 4 ↓

Analogs

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Popular Name: 3-[(2-nitro-3-pyridyl)oxymethyl]benzoic 3-[(2-nitro-3-pyridyl)oxymethyl]…

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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) 2.49 8.11 -69.65 0 7 -1 108 273.224 5 ↓

Analogs

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Popular Name: 5-(benzyloxy)-4-chloro-2-(chloromethyl)pyridine 5-(benzyloxy)-4-chloro-2-(chloro…

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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) 4.16 7.71 -5.94 0 2 0 22 268.143 4 ↓

Analogs

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Popular Name: [[(3-benzyloxy-2-pyridyl)amino]-phosphono-methyl]phosphonic [[(3-benzyloxy-2-pyridyl)amino]-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50759-2-O Dictyostelium Discoideum (cluster #2 Of 2), Other Other 1000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50759 Z50759 Dictyostelium Discoideum 1000 0.35 Functional ≤ 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) -0.05 2.5 -197.14 3 9 -2 159 372.21 7 ↓

Analogs

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Popular Name: 3-benzyloxy-5-(trifluoromethyl)pyridine 3-benzyloxy-5-(trifluoromethyl)p…

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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 6.93 -4.67 0 2 0 22 253.223 4 ↓

Analogs

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Popular Name: 3-(Benzyloxy)-5-chloro-2-ethoxypyridine 3-(Benzyloxy)-5-chloro-2-ethoxyp…

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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 6.52 -5.69 0 3 0 31 263.724 5 ↓

Analogs

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Popular Name: 3-(Benzyloxy)-5-chloro-2-methoxypyridine 3-(Benzyloxy)-5-chloro-2-methoxy…

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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 5.6 -5.74 0 3 0 31 249.697 4 ↓

Analogs

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Popular Name: 5-benzyloxy-3-bromo-2-chloro-pyridine 5-benzyloxy-3-bromo-2-chloro-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) 4.28 6.96 -4.74 0 2 0 22 298.567 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 4.09 9.92 -7.42 0 4 0 48 311.381 7 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[(6-methyl-3-pyridyl)oxymethyl]benzenesulfonamide N,N-dimethyl-3-[(6-methyl-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) 1.86 4.61 -11.86 0 5 0 60 306.387 5 ↓
Lo Low (pH 4.5-6) 1.86 5 -39.75 1 5 1 61 307.395 5 ↓

Analogs

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Popular Name: 1-[4-methoxy-3-[(6-methyl-3-pyridyl)oxymethyl]phenyl]ethanone 1-[4-methoxy-3-[(6-methyl-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) 2.45 6.48 -12.55 0 4 0 48 271.316 5 ↓
Lo Low (pH 4.5-6) 2.45 6.88 -34.18 1 4 1 50 272.324 5 ↓

Analogs

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Popular Name: 2-methyl-5-[(2-nitrophenyl)methoxy]pyridine 2-methyl-5-[(2-nitrophenyl)metho…

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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) 2.48 7.26 -9.8 0 5 0 68 244.25 4 ↓
Lo Low (pH 4.5-6) 2.48 7.68 -33.27 1 5 1 69 245.258 4 ↓

Analogs

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Popular Name: 3-[[(S)-hydroxy-[3-[(4-isopropylphenyl)methoxy]-2-pyridyl]methyl]amino]propan-1-ol 3-[[(S)-hydroxy-[3-[(4-isopropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 5.02 -22.39 3 5 0 82 330.428 9 ↓
Mid Mid (pH 6-8) 3.00 4.24 -35.35 4 5 1 79 331.436 9 ↓

Analogs

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Popular Name: 3-[[(R)-hydroxy-[3-[(4-isopropylphenyl)methoxy]-2-pyridyl]methyl]amino]propan-1-ol 3-[[(R)-hydroxy-[3-[(4-isopropyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 5.03 -22.42 3 5 0 82 330.428 9 ↓
Mid Mid (pH 6-8) 3.00 4.23 -35.3 4 5 1 79 331.436 9 ↓

Analogs

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Popular Name: 2-Amino-5-bromo-3-benzyloxypyridine 2-Amino-5-bromo-3-benzyloxypyridine

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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) 3.08 5.47 -4.21 2 3 0 48 279.137 3 ↓
Lo Low (pH 4.5-6) 3.08 5.95 -30.82 3 3 1 49 280.145 3 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methoxy]pyridin-2-amine 3-[(2,5-dimethylphenyl)methoxy]p…

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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 6.71 -31.94 3 3 1 49 229.303 3 ↓
Mid Mid (pH 6-8) 2.95 6.25 -6.07 2 3 0 48 228.295 3 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methoxy]pyridine-2-carboxylic 3-[(2,5-dimethylphenyl)methoxy]p…

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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 8.6 -63.71 0 4 -1 62 256.281 4 ↓
Lo Low (pH 4.5-6) 3.15 9.01 -46.7 1 4 0 63 257.289 4 ↓

Analogs

34957967
34957967

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Popular Name: 3-[(5-bromo-2-fluoro-phenyl)methoxy]-2-nitro-pyridine 3-[(5-bromo-2-fluoro-phenyl)meth…

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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) 3.50 9.17 -16.81 0 5 0 68 327.109 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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