UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

968223
968223
3591028
3591028
4096940
4096940
4096941
4096941
4096942
4096942

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Popular Name: LEUCOCYANIDIN LEUCOCYANIDIN

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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) 0.38 -10.99 -12.73 6 7 0 130 306.27 1 ↓

Analogs

39120134
39120134
39120136
39120136
489707
489707

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Popular Name: 2-[(2R)-chroman-2-yl]benzoic 2-[(2R)-chroman-2-yl]benzoic

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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) 3.61 9.29 -49.04 0 3 -1 49 253.277 2 ↓

Analogs

39120134
39120134
39120136
39120136
489707
489707

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Popular Name: 2-[(2S)-chroman-2-yl]benzoic 2-[(2S)-chroman-2-yl]benzoic

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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) 3.61 9.31 -49.08 0 3 -1 49 253.277 2 ↓

Analogs

4096940
4096940
4096941
4096941
4096942
4096942
4096943
4096943
4096944
4096944

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Popular Name: LEUCOCYANIDIN LEUCOCYANIDIN

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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) 0.38 -10.7 -11.14 6 7 0 130 306.27 1 ↓

Analogs

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Popular Name: [(2R,3R,4R)-3-acetoxy-2-(4-methoxyphenyl)chroman-4-yl] [(2R,3R,4R)-3-acetoxy-2-(4-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) 3.53 10.03 -12.11 0 6 0 71 356.374 6 ↓

Analogs

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Popular Name: 4-[(2S)-7-hydroxychroman-2-yl]benzene-1,2-diol 4-[(2S)-7-hydroxychroman-2-yl]be…

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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 1.15 -10.11 3 4 0 70 258.273 1 ↓

Analogs

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Popular Name: 4-[(2R)-7-hydroxychroman-2-yl]benzene-1,2-diol 4-[(2R)-7-hydroxychroman-2-yl]be…

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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 1.13 -9.5 3 4 0 70 258.273 1 ↓

Analogs

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Popular Name: 7,4'-Dihydroxy-3'-methoxyflavan 7,4'-Dihydroxy-3'-methoxyflavan

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 3.22 -9.52 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)chroman-7-ol (2R)-2-(4-hydroxy-3-methoxy-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) 2.92 3.21 -9.17 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: 3',4'-Dihydroxy-7-methoxyflavan 3',4'-Dihydroxy-7-methoxyflavan

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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 3.31 -10.19 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: 4-[(2R)-7-methoxychroman-2-yl]benzene-1,2-diol 4-[(2R)-7-methoxychroman-2-yl]be…

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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 3.29 -9.41 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: 4'-Hydroxy-7,3'-dimethoxyflavan 4'-Hydroxy-7,3'-dimethoxyflavan

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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) 3.46 5.37 -9.64 1 4 0 48 286.327 3 ↓

Analogs

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Popular Name: 4'-Hydroxy-7,3'-dimethoxyflavan 4'-Hydroxy-7,3'-dimethoxyflavan

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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) 3.46 5.35 -9.16 1 4 0 48 286.327 3 ↓

Analogs

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Popular Name: (S)-2-(3-Hydroxy-4-methoxyphenyl)chroman-7-ol (S)-2-(3-Hydroxy-4-methoxyphenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 3.22 -9.26 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2R)-2-(3-hydroxy-4-methoxy-phenyl)chroman-7-ol (2R)-2-(3-hydroxy-4-methoxy-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) 2.92 3.2 -8.87 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: Guibourtinidol Guibourtinidol

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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 -0.08 -8.91 3 4 0 70 258.273 1 ↓

Analogs

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Popular Name: (2S,3S)-2-(4-hydroxyphenyl)chroman-3,7-diol (2S,3S)-2-(4-hydroxyphenyl)chrom…

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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 0.6 -10.57 3 4 0 70 258.273 1 ↓

Analogs

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Popular Name: (2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-chroman-3-ol (2R,3R)-2-(4-hydroxyphenyl)-7-me…

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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 2.73 -11.38 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: Guibourtinidol-7-methyl ether Guibourtinidol-7-methyl ether

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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 2.08 -8.99 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2S,3S)-5-methoxy-2-phenyl-chroman-3,6-diol (2S,3S)-5-methoxy-2-phenyl-chrom…

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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) 2.44 3.47 -8.88 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2R,3S)-5-methoxy-2-phenyl-chroman-3,6-diol (2R,3S)-5-methoxy-2-phenyl-chrom…

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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) 2.44 2.88 -7.7 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2S,3R)-5-methoxy-2-phenyl-chroman-3,6-diol (2S,3R)-5-methoxy-2-phenyl-chrom…

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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) 2.44 2.86 -7.73 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: (2R,3R)-5-methoxy-2-phenyl-chroman-3,6-diol (2R,3R)-5-methoxy-2-phenyl-chrom…

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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) 2.44 3.54 -9.34 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: Epidistenin Epidistenin

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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) 2.34 0.63 -10.46 3 4 0 70 258.273 1 ↓

Analogs

39120120
39120120
39120192
39120192
39120194
39120194
4098150
4098150

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Popular Name: Apigeniflavan Apigeniflavan

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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) 3.02 0.44 -8.89 3 4 0 70 258.273 1 ↓

Analogs

39120120
39120120
39120192
39120192
39120194
39120194
4098150
4098150

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Popular Name: (2R)-2-(4-hydroxyphenyl)chroman-5,7-diol (2R)-2-(4-hydroxyphenyl)chroman-…

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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) 3.02 0.42 -9.07 3 4 0 70 258.273 1 ↓

Analogs

39120192
39120192
39120194
39120194

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Popular Name: 4'-Hydroxy-5,7-dimethoxyflavan 4'-Hydroxy-5,7-dimethoxyflavan

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 4.75 -8.37 1 4 0 48 286.327 3 ↓

Analogs

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Popular Name: 4'-Hydroxy-5,7-dimethoxyflavan 4'-Hydroxy-5,7-dimethoxyflavan

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 4.73 -8.14 1 4 0 48 286.327 3 ↓

Analogs

39027977
39027977
39120192
39120192
39120194
39120194

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Popular Name: 5,7,4'-Trimethoxyflavan 5,7,4'-Trimethoxyflavan

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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 6.9 -7.72 0 4 0 37 300.354 4 ↓

Analogs

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Popular Name: 5,7,4'-Trimethoxyflavan 5,7,4'-Trimethoxyflavan

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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 6.89 -7.73 0 4 0 37 300.354 4 ↓

Analogs

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Popular Name: 5,7-Dihydroxy-4'-methoxyflavan 5,7-Dihydroxy-4'-methoxyflavan

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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) 3.56 2.59 -8.32 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: 5,7-Dihydroxy-4'-methoxyflavan 5,7-Dihydroxy-4'-methoxyflavan

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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) 3.56 2.57 -8.7 2 4 0 59 272.3 2 ↓

Analogs

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Popular Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] [(2R,3R)-5,7-dihydroxy-2-(3,4,5-…

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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) 8.83 9.56 -16.26 5 8 0 137 570.723 18 ↓

Analogs

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Popular Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] [(2R,3R)-5,7-dihydroxy-2-(3,4,5-…

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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) 5.09 2.85 -16.39 5 8 0 137 456.491 7 ↓

Analogs

34874372
34874372
4096168
4096168

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Popular Name: (2R,3R,4R)-3,7-dimethoxy-2-phenyl-chromane-4,5-diol (2R,3R,4R)-3,7-dimethoxy-2-pheny…

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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) 2.50 3.66 -9.48 2 5 0 68 302.326 3 ↓

Parameters Provided:

ring.id = 300
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 = 300 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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