UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: prim prim

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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) 1.44 -3.82 -11.37 4 7 0 99 303.366 5 ↓
Mid Mid (pH 6-8) 1.44 -3.62 -38.89 5 7 1 100 304.374 5 ↓
Mid Mid (pH 6-8) 1.44 -3.63 -39.25 5 7 1 100 304.374 5 ↓

Analogs

13984256
13984256

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Popular Name: Ormetoprim Ormetoprim

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RX2-1-E P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.35 Functional ≤ 10μM
P2RX3-1-E P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX2_HUMAN Q9UBL9 P2X Purinoceptor 2, Human 10000 0.35 Functional ≤ 10μM
P2RX3_RAT P49654 P2X Purinoceptor 3, Rat 10000 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) 1.39 4.67 -10.73 4 6 0 96 274.324 4 ↓
Mid Mid (pH 6-8) 1.39 5.17 -38.05 5 6 1 98 275.332 4 ↓

Analogs

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Popular Name: (S)-(4-methoxyphenyl)-pyrimidin-5-yl-methanol (S)-(4-methoxyphenyl)-pyrimidin-…

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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) 0.80 3.23 -8.69 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (R)-(4-methoxyphenyl)-pyrimidin-5-yl-methanol (R)-(4-methoxyphenyl)-pyrimidin-…

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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) 0.80 3.24 -8.67 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (R)-(2-methoxyphenyl)-pyrimidin-5-yl-methanol (R)-(2-methoxyphenyl)-pyrimidin-…

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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) 0.76 3.36 -7.43 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (S)-(2-methoxyphenyl)-pyrimidin-5-yl-methanol (S)-(2-methoxyphenyl)-pyrimidin-…

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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) 0.76 3.33 -7.45 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (S)-(3-methoxyphenyl)-pyrimidin-5-yl-methanol (S)-(3-methoxyphenyl)-pyrimidin-…

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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) 0.78 3.22 -8.22 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (R)-(3-methoxyphenyl)-pyrimidin-5-yl-methanol (R)-(3-methoxyphenyl)-pyrimidin-…

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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) 0.78 3.24 -8.34 1 4 0 55 216.24 3 ↓

Analogs

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Popular Name: (S)-(3-ethoxyphenyl)-pyrimidin-5-yl-methanol (S)-(3-ethoxyphenyl)-pyrimidin-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) 1.16 4.15 -8.08 1 4 0 55 230.267 4 ↓

Analogs

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Popular Name: (R)-(3-ethoxyphenyl)-pyrimidin-5-yl-methanol (R)-(3-ethoxyphenyl)-pyrimidin-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) 1.16 4.16 -8.19 1 4 0 55 230.267 4 ↓

Analogs

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Popular Name: (S)-(3,4-dimethoxyphenyl)-pyrimidin-5-yl-methanol (S)-(3,4-dimethoxyphenyl)-pyrimi…

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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) 0.39 3.13 -11.23 1 5 0 64 246.266 4 ↓

Analogs

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Popular Name: (R)-(3,4-dimethoxyphenyl)-pyrimidin-5-yl-methanol (R)-(3,4-dimethoxyphenyl)-pyrimi…

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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) 0.39 3.13 -11.29 1 5 0 64 246.266 4 ↓

Analogs

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Popular Name: (4-bromophenyl)(pyrimidin-5-yl)methanol (4-bromophenyl)(pyrimidin-5-yl)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) 1.56 4.56 -7.62 1 3 0 46 265.11 2 ↓

Analogs

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Popular Name: (4-bromophenyl)(pyrimidin-5-yl)methanol (4-bromophenyl)(pyrimidin-5-yl)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) 1.56 4.56 -7.65 1 3 0 46 265.11 2 ↓

Analogs

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Popular Name: (S)-(4-fluorophenyl)-pyrimidin-5-yl-methanol (S)-(4-fluorophenyl)-pyrimidin-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) 0.91 4 -8.39 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (R)-(4-fluorophenyl)-pyrimidin-5-yl-methanol (R)-(4-fluorophenyl)-pyrimidin-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) 0.91 4.01 -8.42 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (S)-(3-fluorophenyl)-pyrimidin-5-yl-methanol (S)-(3-fluorophenyl)-pyrimidin-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) 0.89 4 -8.23 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (R)-(3-fluorophenyl)-pyrimidin-5-yl-methanol (R)-(3-fluorophenyl)-pyrimidin-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) 0.89 4 -8.13 1 3 0 46 204.204 2 ↓

Analogs

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Popular Name: (S)-(4-chlorophenyl)-pyrimidin-5-yl-methanol (S)-(4-chlorophenyl)-pyrimidin-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) 1.43 4.46 -7.66 1 3 0 46 220.659 2 ↓

Analogs

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Popular Name: (R)-(4-chlorophenyl)-pyrimidin-5-yl-methanol (R)-(4-chlorophenyl)-pyrimidin-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) 1.43 4.46 -7.66 1 3 0 46 220.659 2 ↓

Analogs

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Popular Name: (S)-pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol (S)-pyrimidin-5-yl-[3-(trifluoro…

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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) 1.62 4.93 -8.45 1 3 0 46 254.211 3 ↓

Analogs

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Popular Name: (R)-pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol (R)-pyrimidin-5-yl-[3-(trifluoro…

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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) 1.62 4.93 -8.54 1 3 0 46 254.211 3 ↓

Analogs

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Popular Name: (S)-(4-isopropylphenyl)-pyrimidin-5-yl-methanol (S)-(4-isopropylphenyl)-pyrimidi…

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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) 2.26 5.87 -6.6 1 3 0 46 228.295 3 ↓

Analogs

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Popular Name: (R)-(4-isopropylphenyl)-pyrimidin-5-yl-methanol (R)-(4-isopropylphenyl)-pyrimidi…

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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) 2.26 5.87 -6.57 1 3 0 46 228.295 3 ↓

Analogs

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Popular Name: (S)-p-tolyl(pyrimidin-5-yl)methanol (S)-p-tolyl(pyrimidin-5-yl)methanol

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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) 1.20 4.61 -6.9 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (R)-p-tolyl(pyrimidin-5-yl)methanol (R)-p-tolyl(pyrimidin-5-yl)methanol

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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) 1.20 4.61 -6.89 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (S)-(3-chlorophenyl)-pyrimidin-5-yl-methanol (S)-(3-chlorophenyl)-pyrimidin-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) 1.40 4.45 -7.5 1 3 0 46 220.659 2 ↓

Analogs

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Popular Name: (R)-(3-chlorophenyl)-pyrimidin-5-yl-methanol (R)-(3-chlorophenyl)-pyrimidin-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) 1.40 4.45 -7.38 1 3 0 46 220.659 2 ↓

Analogs

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Popular Name: (S)-(3,4-difluorophenyl)-pyrimidin-5-yl-methanol (S)-(3,4-difluorophenyl)-pyrimid…

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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) 1.00 4.06 -10.47 1 3 0 46 222.194 2 ↓

Analogs

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Popular Name: (R)-(3,4-difluorophenyl)-pyrimidin-5-yl-methanol (R)-(3,4-difluorophenyl)-pyrimid…

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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) 1.00 4.06 -10.37 1 3 0 46 222.194 2 ↓

Analogs

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Popular Name: (S)-(4-ethylphenyl)-pyrimidin-5-yl-methanol (S)-(4-ethylphenyl)-pyrimidin-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) 1.66 5.38 -6.69 1 3 0 46 214.268 3 ↓

Analogs

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Popular Name: (R)-(4-ethylphenyl)-pyrimidin-5-yl-methanol (R)-(4-ethylphenyl)-pyrimidin-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) 1.66 5.38 -6.73 1 3 0 46 214.268 3 ↓

Analogs

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Popular Name: (S)-(3-bromophenyl)-pyrimidin-5-yl-methanol (S)-(3-bromophenyl)-pyrimidin-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) 1.53 4.55 -7.47 1 3 0 46 265.11 2 ↓

Analogs

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Popular Name: (R)-(3-bromophenyl)-pyrimidin-5-yl-methanol (R)-(3-bromophenyl)-pyrimidin-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) 1.53 4.55 -7.39 1 3 0 46 265.11 2 ↓

Analogs

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Popular Name: (S)-phenyl(pyrimidin-5-yl)methanol (S)-phenyl(pyrimidin-5-yl)methanol

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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) 0.75 3.93 -6.89 1 3 0 46 186.214 2 ↓

Analogs

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Popular Name: (R)-phenyl(pyrimidin-5-yl)methanol (R)-phenyl(pyrimidin-5-yl)methanol

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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) 0.75 3.94 -6.89 1 3 0 46 186.214 2 ↓

Analogs

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Popular Name: (S)-o-tolyl(pyrimidin-5-yl)methanol (S)-o-tolyl(pyrimidin-5-yl)methanol

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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) 1.15 4.23 -6.71 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (R)-o-tolyl(pyrimidin-5-yl)methanol (R)-o-tolyl(pyrimidin-5-yl)methanol

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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) 1.15 4.34 -6.74 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (S)-m-tolyl(pyrimidin-5-yl)methanol (S)-m-tolyl(pyrimidin-5-yl)methanol

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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 4.6 -6.85 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (R)-m-tolyl(pyrimidin-5-yl)methanol (R)-m-tolyl(pyrimidin-5-yl)methanol

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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 4.6 -6.91 1 3 0 46 200.241 2 ↓

Analogs

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Popular Name: (S)-(3-fluoro-4-methyl-phenyl)-pyrimidin-5-yl-methanol (S)-(3-fluoro-4-methyl-phenyl)-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) 1.29 4.64 -8.35 1 3 0 46 218.231 2 ↓

Analogs

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Popular Name: (R)-(3-fluoro-4-methyl-phenyl)-pyrimidin-5-yl-methanol (R)-(3-fluoro-4-methyl-phenyl)-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) 1.29 4.65 -8.23 1 3 0 46 218.231 2 ↓

Analogs

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Popular Name: (S)-(4-fluoro-3-methyl-phenyl)-pyrimidin-5-yl-methanol (S)-(4-fluoro-3-methyl-phenyl)-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) 1.29 4.63 -8.4 1 3 0 46 218.231 2 ↓

Analogs

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Popular Name: (R)-(4-fluoro-3-methyl-phenyl)-pyrimidin-5-yl-methanol (R)-(4-fluoro-3-methyl-phenyl)-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) 1.29 4.64 -8.46 1 3 0 46 218.231 2 ↓

Analogs

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Popular Name: (S)-(3-chloro-4,5-dimethoxy-phenyl)-pyrimidin-5-yl-methanol (S)-(3-chloro-4,5-dimethoxy-phen…

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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) 1.20 3.77 -10.87 1 5 0 64 280.711 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-chloro-4,5-dimethoxy-phenyl)-pyrimidin-5-yl-methanol (R)-(3-chloro-4,5-dimethoxy-phen…

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Activity (Go SEA)

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) 1.20 3.77 -10.76 1 5 0 64 280.711 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3,5-difluorophenyl)-pyrimidin-5-yl-methanol (S)-(3,5-difluorophenyl)-pyrimid…

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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) 1.00 4.07 -8.02 1 3 0 46 222.194 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3,5-difluorophenyl)-pyrimidin-5-yl-methanol (R)-(3,5-difluorophenyl)-pyrimid…

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Activity (Go SEA)

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) 1.00 4.07 -7.97 1 3 0 46 222.194 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-pyrimidin-5-yl-(3,4,5-trifluorophenyl)methanol (S)-pyrimidin-5-yl-(3,4,5-triflu…

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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) 1.09 4.12 -10.9 1 3 0 46 240.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-pyrimidin-5-yl-(3,4,5-trifluorophenyl)methanol (R)-pyrimidin-5-yl-(3,4,5-triflu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.09 4.12 -10.89 1 3 0 46 240.184 2 ↓

Parameters Provided:

ring.id = 4
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 = 4 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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