UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

136138
136138
1687606
1687606
1722138
1722138
14725541
14725541

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Popular Name: (2,6-Dihydroxy-4-methoxyphenyl)phenylmethanone; 2,6-Dihydroxy-4-methoxybenzophenone; BRN 1981817; Benzophenone, 2,6-dihydroxy-4-methoxy-; Cotoin; LS-38908; Monomethyl ether of 2,4,6-trihydroxybenzophenone; Monomethylaether der 2,4,6-trioxybenzophenon [Ger (2,6-Dihydroxy-4-methoxyphenyl)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) 3.28 1.69 -10.59 2 4 0 67 244.246 3 ↓

Analogs

1846060
1846060

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Popular Name: profen profen

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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 2.06 -48.48 0 4 -1 66 317.748 5 ↓

Analogs

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Popular Name: (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone (2-hydroxy-4-methoxyphenyl)(4-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) 3.81 5.14 -8.02 1 3 0 47 242.274 3 ↓
Hi High (pH 8-9.5) 3.81 5.92 -47.76 0 3 -1 49 241.266 3 ↓

Analogs

5779660
5779660

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Popular Name: 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxy-1-methyl-ethyl)-acetamide 2-[4-(4-fluorobenzoyl)phenoxy]-N…

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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) 3.03 0.92 -12.89 1 5 0 64 345.37 8 ↓

Analogs

5779658
5779658

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Popular Name: 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxy-1-methyl-ethyl)-acetamide 2-[4-(4-fluorobenzoyl)phenoxy]-N…

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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) 3.03 0.92 -12.94 1 5 0 64 345.37 8 ↓

Analogs

5779719
5779719

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Popular Name: 2-[4-(4-fluorobenzoyl)phenoxy]propanamide 2-[4-(4-fluorobenzoyl)phenoxy]pr…

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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 0.28 -14.03 2 4 0 69 287.29 5 ↓

Analogs

5779718
5779718

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Popular Name: 2-[4-(4-fluorobenzoyl)phenoxy]propanamide 2-[4-(4-fluorobenzoyl)phenoxy]pr…

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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 0.25 -14.12 2 4 0 69 287.29 5 ↓

Analogs

6000605
6000605
6352896
6352896
6353118
6353118
6639021
6639021
5712392
5712392

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Popular Name: (2-benzoylphenyl)carbamoylmethyl (2-benzoylphenyl)carbamoylmethyl

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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 2.24 -10.52 1 5 0 72 325.364 8 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-[3-(trifluoromethoxy)phenyl]methanone (4-methoxyphenyl)-[3-(trifluorom…

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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) 4.39 6.85 -7.68 0 3 0 36 296.244 5 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-[3-(trifluoromethoxy)phenyl]methanone (2-methoxyphenyl)-[3-(trifluorom…

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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) 4.35 7.1 -8.55 0 3 0 36 296.244 5 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-[3-(trifluoromethoxy)phenyl]methanone (3-methoxyphenyl)-[3-(trifluorom…

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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) 4.37 6.84 -6.97 0 3 0 36 296.244 5 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (4-fluorophenyl)-[3-(trifluorome…

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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) 4.50 7.6 -4.73 0 2 0 26 284.208 4 ↓

Analogs

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Popular Name: (3-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (3-fluorophenyl)-[3-(trifluorome…

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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) 4.48 7.61 -6.15 0 2 0 26 284.208 4 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (3,4-difluorophenyl)-[3-(trifluo…

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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) 4.59 7.65 -6.12 0 2 0 26 302.198 4 ↓

Analogs

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Popular Name: phenyl-[3-(trifluoromethoxy)phenyl]methanone phenyl-[3-(trifluoromethoxy)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) 4.34 7.54 -7.49 0 2 0 26 266.218 4 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (3,5-difluorophenyl)-[3-(trifluo…

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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) 4.59 7.67 -3.96 0 2 0 26 302.198 4 ↓

Analogs

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Popular Name: 1-(2-benzoyl-4-chloro-phenyl)-2-chloro-ethanone 1-(2-benzoyl-4-chloro-phenyl)-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) 4.13 9.47 -15.55 0 2 0 34 293.149 4 ↓

Analogs

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Popular Name: 2-(2,5-dimethylbenzoyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide 2-(2,5-dimethylbenzoyl)-N-[2-oxo…

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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) 3.13 7.31 -14.91 2 5 0 75 348.402 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethylbenzoyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide 2-(3,4-dimethylbenzoyl)-N-[2-oxo…

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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) 3.13 7.2 -15.7 2 5 0 75 348.402 6 ↓

Analogs

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Popular Name: (Z)-3-(2-benzoylanilino)prop-2-enoic (Z)-3-(2-benzoylanilino)prop-2-e…

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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) 2.80 8.81 -47.68 0 4 -1 70 266.276 5 ↓
Lo Low (pH 4.5-6) 2.63 7.15 -13.1 2 4 0 66 267.284 5 ↓

Analogs

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Popular Name: (Z)-3-(2-benzoyl-4-chloro-anilino)prop-2-enoic (Z)-3-(2-benzoyl-4-chloro-anilin…

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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) 3.45 9.34 -43.62 0 4 -1 70 300.721 5 ↓
Lo Low (pH 4.5-6) 3.28 7.67 -12.45 2 4 0 66 301.729 5 ↓

Analogs

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Popular Name: (3-ethoxyphenyl)-(2-fluorophenyl)methanone (3-ethoxyphenyl)-(2-fluorophenyl…

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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) 3.92 8.2 -8.82 0 2 0 26 244.265 4 ↓

Analogs

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Popular Name: (2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanone (2-fluorophenyl)-[3-(trifluorome…

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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) 4.38 8.99 -9.03 0 1 0 17 268.209 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(2-fluorophenyl)methanone (3-chlorophenyl)-(2-fluorophenyl…

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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 8.49 -8.41 0 1 0 17 234.657 2 ↓

Analogs

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Popular Name: (3-bromophenyl)-(2-fluorophenyl)methanone (3-bromophenyl)-(2-fluorophenyl)…

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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) 4.29 8.59 -8.34 0 1 0 17 279.108 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(m-tolyl)methanone (2-fluorophenyl)-(m-tolyl)methanone

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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) 3.93 8.64 -8.65 0 1 0 17 214.239 2 ↓

Analogs

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Popular Name: (3-fluoro-4-methyl-phenyl)-(2-fluorophenyl)methanone (3-fluoro-4-methyl-phenyl)-(2-fl…

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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) 4.05 8.69 -7.45 0 1 0 17 232.229 2 ↓

Analogs

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Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-(2-fluorophenyl)methanone (3-chloro-4,5-dimethoxy-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) 3.96 7.85 -9.06 0 3 0 36 294.709 4 ↓

Analogs

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Popular Name: (3,5-difluorophenyl)-(2-fluorophenyl)methanone (3,5-difluorophenyl)-(2-fluoroph…

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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) 3.76 8.11 -6.18 0 1 0 17 236.192 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-(2-fluorophenyl)methanone (2-bromophenyl)-(2-fluorophenyl)…

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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) 4.27 8.56 -10.57 0 1 0 17 279.108 2 ↓

Analogs

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Popular Name: (2-chlorophenyl)-(2-fluorophenyl)methanone (2-chlorophenyl)-(2-fluorophenyl…

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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) 4.14 8.46 -10.77 0 1 0 17 234.657 2 ↓

Analogs

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Popular Name: (5-fluoro-2-methyl-phenyl)-(2-fluorophenyl)methanone (5-fluoro-2-methyl-phenyl)-(2-fl…

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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) 4.05 8.6 -10.72 0 1 0 17 232.229 2 ↓

Analogs

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Popular Name: (2,5-difluorophenyl)-(2-methoxy-5-methyl-phenyl)methanone (2,5-difluorophenyl)-(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) 4.08 8.1 -9.85 0 2 0 26 262.255 3 ↓

Analogs

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Popular Name: (4-isopropoxyphenyl)-(2-methoxy-5-methyl-phenyl)methanone (4-isopropoxyphenyl)-(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) 4.62 8.85 -8.72 0 3 0 36 284.355 5 ↓

Analogs

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Popular Name: (5-fluoro-2-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (5-fluoro-2-methoxy-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) 3.97 8.6 -11.95 0 3 0 36 274.291 4 ↓

Analogs

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Popular Name: (3-chloro-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (3-chloro-4-methoxy-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) 4.49 7.84 -8.71 0 3 0 36 290.746 4 ↓

Analogs

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Popular Name: (5-bromo-2-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (5-bromo-2-methoxy-phenyl)-(2-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) 4.62 9.16 -11.44 0 3 0 36 335.197 4 ↓

Analogs

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Popular Name: N-[4-(2-methoxy-5-methyl-benzoyl)phenyl]-N-methyl-formamide N-[4-(2-methoxy-5-methyl-benzoyl…

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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 7.74 -12.28 0 4 0 47 283.327 4 ↓

Analogs

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Popular Name: (2-methoxy-5-methyl-phenyl)-(4-methoxy-3-methyl-phenyl)methanone (2-methoxy-5-methyl-phenyl)-(4-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) 4.26 8.02 -9.29 0 3 0 36 270.328 4 ↓

Analogs

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Popular Name: (3-fluoro-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (3-fluoro-4-methoxy-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) 3.97 7.36 -9.22 0 3 0 36 274.291 4 ↓

Analogs

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Popular Name: (2-fluoro-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (2-fluoro-4-methoxy-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) 3.97 7.34 -11.36 0 3 0 36 274.291 4 ↓

Analogs

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Popular Name: (2-chloro-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (2-chloro-4-methoxy-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) 4.49 8.94 -9.89 0 3 0 36 290.746 4 ↓

Analogs

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Popular Name: (2-bromo-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (2-bromo-4-methoxy-phenyl)-(2-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) 4.62 9.04 -9.68 0 3 0 36 335.197 4 ↓

Analogs

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Popular Name: (2,6-difluoro-4-methoxy-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (2,6-difluoro-4-methoxy-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) 4.07 8.62 -12.09 0 3 0 36 292.281 4 ↓

Analogs

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Popular Name: (2-ethoxy-5-methyl-phenyl)-(2-methoxy-5-methyl-phenyl)methanone (2-ethoxy-5-methyl-phenyl)-(2-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) 4.63 10.12 -12.44 0 3 0 36 284.355 5 ↓

Analogs

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Popular Name: (2,6-dibromo-3,4,5-trimethoxy-phenyl)-(3,4-dimethoxyphenyl)methanone (2,6-dibromo-3,4,5-trimethoxy-ph…

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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) 4.54 7.73 -8.83 0 6 0 63 490.144 7 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-(3-ethoxyphenyl)methanone (2,5-dimethylphenyl)-(3-ethoxyph…

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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) 4.63 9.39 -8.86 0 2 0 26 254.329 4 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-(4-fluoro-3-methyl-phenyl)methanone (2,5-dimethylphenyl)-(4-fluoro-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) 4.76 9.87 -5.66 0 1 0 17 242.293 2 ↓

Analogs

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Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-(2,5-dimethylphenyl)methanone (3-chloro-4,5-dimethoxy-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) 4.67 9.04 -6.65 0 3 0 36 304.773 4 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanone (2,5-dimethylphenyl)-(3,4,5-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) 4.57 9.36 -4.82 0 1 0 17 264.246 2 ↓

Parameters Provided:

ring.id = 155
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 = 155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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