UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Choline chloride Choline chloride

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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) -4.24 2.42 -27.92 1 2 1 20 104.173 2 ↓

Analogs

1532563
1532563
1704723
1704723
1745010
1745010

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Popular Name: beta-Sitosterol beta-Sitosterol

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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) 8.62 13.65 -1.48 1 1 0 20 414.718 6 ↓

Analogs

1532563
1532563
1704723
1704723
1745010
1745010

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Popular Name: Stigmasterol Stigmasterol

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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) 7.87 13.71 -1.46 1 1 0 20 412.702 5 ↓

Analogs

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Popular Name: Epicatechin Epicatechin

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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) 1.37 -4.31 -13.19 5 6 0 110 290.271 1 ↓

Analogs

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Popular Name: 4-Isopropylbenzaldehyde 4-Isopropylbenzaldehyde

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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) 3.24 2.4 -6.11 0 1 0 17 148.205 2 ↓

Analogs

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Popular Name: Isorhamnetin Isorhamnetin

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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) 1.99 -0.82 -12.51 4 7 0 120 316.265 2 ↓

Analogs

519174
519174
2146973
2146973
4935
4935

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Popular Name: Naringenin Naringenin

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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) 2.12 0.88 -10.44 3 5 0 87 272.256 1 ↓
Hi High (pH 8-9.5) 2.12 1.87 -51.65 2 5 -1 90 271.248 1 ↓

Analogs

4097730
4097730
25761183
25761183

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Popular Name: cyanidin cyanidin

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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 -3.13 -37.6 5 6 1 112 287.247 1 ↓
Hi High (pH 8-9.5) -0.75 -2.34 -33.22 4 6 0 115 286.239 1 ↓
Hi High (pH 8-9.5) -0.75 -2.34 -39.12 4 6 0 115 286.239 1 ↓

Analogs

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Popular Name: Myricetin Myricetin

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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) 1.39 -5.05 -14 6 8 0 152 318.237 1 ↓
Mid Mid (pH 6-8) 1.65 -4.78 -43.31 5 8 -1 154 317.229 1 ↓

Analogs

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Popular Name: Catechin Catechin

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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) 1.37 -4.94 -11.51 5 6 0 110 290.271 1 ↓

Analogs

4097702
4097702

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Popular Name: Zeaxanthin Zeaxanthin

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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) 9.39 19.02 -6.3 2 2 0 40 568.886 10 ↓

Analogs

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Popular Name: Theobromine Theobromine

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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) -0.95 2.75 -11.27 1 6 0 73 180.167 0 ↓

Analogs

1532563
1532563
1704723
1704723
1745010
1745010

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Popular Name: Campesterol Campesterol

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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) 8.31 13.15 -1.45 1 1 0 20 400.691 5 ↓

Analogs

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Popular Name: ELLAGIC ACID ELLAGIC ACID

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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) 0.94 -1.09 -13.29 4 8 0 141 302.194 0 ↓
Hi High (pH 8-9.5) 0.49 -0.46 -37.99 3 8 -1 144 301.186 0 ↓
Hi High (pH 8-9.5) 0.94 -0.07 -45.06 3 8 -1 144 301.186 0 ↓

Analogs

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Popular Name: Xylitol Xylitol

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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 -8.82 -10.23 5 5 0 101 152.146 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: naringin naringin

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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) -0.37 -18.33 -21.05 8 14 0 225 580.539 6 ↓

Analogs

4096945
4096945

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Popular Name: Tamarixetin Tamarixetin

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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) 1.02 -5.8 -13 4 7 0 116 318.281 2 ↓

Analogs

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Popular Name: Chalcone Chalcone

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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 9.23 -7.67 0 1 0 17 208.26 3 ↓

Analogs

4097730
4097730
25761183
25761183

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Popular Name: delphinidin delphinidin

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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) -1.04 -4.73 -39.83 6 7 1 133 303.246 1 ↓
Hi High (pH 8-9.5) -1.04 -3.95 -37.05 5 7 0 135 302.238 1 ↓
Hi High (pH 8-9.5) -1.04 -3.95 -43.36 5 7 0 135 302.238 1 ↓

Analogs

6093398
6093398
6582528
6582528
39119560
39119560

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Popular Name: Flavone Flavone

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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) 3.74 8.29 -10.1 0 2 0 30 222.243 1 ↓

Analogs

3978503
3978503
4534390
4534390
4544252
4544252
8681494
8681494

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Popular Name: (-)-EPIGALLOCATECHIN GALLATE (-)-EPIGALLOCATECHIN GALLATE

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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 -6.71 -20.66 8 11 0 197 458.375 4 ↓
Hi High (pH 8-9.5) 2.25 -5.81 -60.24 7 11 -1 200 457.367 4 ↓
Hi High (pH 8-9.5) 2.25 -5.67 -56.02 7 11 -1 200 457.367 4 ↓

Analogs

897727
897727

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Popular Name: Petunidin Petunidin

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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) -0.73 -3.27 -12.44 5 7 0 122 317.273 2 ↓
Hi High (pH 8-9.5) -2.05 -0.68 -44.55 3 7 0 121 316.265 2 ↓
Hi High (pH 8-9.5) -2.05 -0.56 -34.95 3 7 0 121 316.265 2 ↓

Analogs

3954302
3954302

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Popular Name: Malvidin Malvidin

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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) -0.42 -1.21 -12.64 4 7 0 111 331.3 3 ↓
Hi High (pH 8-9.5) -0.42 -0.33 -31.99 3 7 0 113 330.292 3 ↓
Hi High (pH 8-9.5) -0.42 -0.33 -38.41 3 7 0 113 330.292 3 ↓

Analogs

16889837
16889837
6920405
6920405

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Popular Name: Raffinose Raffinose

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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) -4.90 -22.11 -18.64 11 16 0 269 504.438 8 ↓

Analogs

16889837
16889837
6920405
6920405

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Popular Name: Raffinose Raffinose

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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) -4.90 -22.23 -17.5 11 16 0 269 504.438 8 ↓

Analogs

16889837
16889837
6920405
6920405

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Popular Name: Raffinose Raffinose

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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) -4.90 -22.38 -18.14 11 16 0 269 504.438 8 ↓

Analogs

8220929
8220929
16889837
16889837
40164424
40164424
40164425
40164425
40164426
40164426

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Popular Name: raffinose raffinose

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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) -4.90 -23 -18.75 11 16 0 269 504.438 8 ↓

Analogs

2149675
2149675

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Popular Name: Genistein Genistein

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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) 2.27 1.08 -13.3 3 5 0 91 270.24 1 ↓

Analogs

8579422
8579422
9915770
9915770
9915771
9915771
13508244
13508244
13522679
13522679

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Popular Name: Sedoheptulose Sedoheptulose

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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) -3.07 -9.61 -14.04 6 7 0 138 210.182 6 ↓
Ref Reference (pH 7) -3.92 -9.66 -17.17 6 7 0 138 210.182 6 ↓
Hi High (pH 8-9.5) -3.92 -8.91 -59.59 5 7 -1 141 209.174 6 ↓

Analogs

4353180
4353180
8579422
8579422
9915770
9915770
9915771
9915771
13508244
13508244

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Popular Name: Sedoheptulose Sedoheptulose

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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 -11.63 -16.33 6 7 0 138 210.182 6 ↓

Analogs

4353160
4353160
4353180
4353180

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Popular Name: Sedoheptulose Sedoheptulose

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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 -9.38 -17.2 6 7 0 138 210.182 6 ↓
Hi High (pH 8-9.5) -3.92 -8.63 -59.25 5 7 -1 141 209.174 6 ↓

Analogs

13508244
13508244
13522679
13522679
13522684
13522684
4353160
4353160
4353180
4353180

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Popular Name: D-MANNOHEPTULOSE D-MANNOHEPTULOSE

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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 -11.36 -17.07 6 7 0 138 210.182 6 ↓
Ref Reference (pH 7) -3.07 -11.35 -14.34 6 7 0 138 210.182 6 ↓
Hi High (pH 8-9.5) -3.92 -10.61 -59.44 5 7 -1 141 209.174 6 ↓

Analogs

14879959
14879959
14879961
14879961
40164432
40164432

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Popular Name: lutein lutein

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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) 9.31 19.09 -8.95 2 2 0 40 568.886 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acetoin Acetoin

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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) -0.41 0.67 -5.78 1 2 0 37 88.106 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acetoin Acetoin

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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) -0.41 0.65 -6.18 1 2 0 37 88.106 1 ↓

Analogs

3947430
3947430
3947429
3947429

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Popular Name: RUTIN RUTIN

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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) -1.06 -12.88 -23.26 10 16 0 269 610.521 6 ↓

Analogs

14168
14168

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Popular Name: Phloretin Phloretin

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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 -0.03 -11.77 4 5 0 98 274.272 4 ↓
Hi High (pH 8-9.5) 2.66 0.69 -39.81 3 5 -1 101 273.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Daidzein Daidzein

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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) 2.56 2.64 -11.61 2 4 0 71 254.241 1 ↓

Analogs

4228277
4228277
4404281
4404281
4528545
4528545
4528546
4528546
4528547
4528547

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Popular Name: L-Menthol L-Menthol

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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) 3.34 3.82 -2 1 1 0 20 156.269 1 ↓

Analogs

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Popular Name: BERBERINE CHLORIDE BERBERINE CHLORIDE

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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) 0.20 8.91 -32.71 0 5 1 41 336.367 2 ↓

Analogs

13523661
13523661

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Popular Name: cinnamaldehyde cinnamaldehyde

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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 5.49 -7.64 0 1 0 17 132.162 2 ↓

Analogs

12496173
12496173
35822478
35822478
2053
2053

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Popular Name: Salicin Salicin

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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) -1.04 -7.34 -8.93 5 7 0 120 286.28 4 ↓

Analogs

12503234
12503234
36378000
36378000

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Popular Name: Vitamin K1 Vitamin K1

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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) 8.80 19.61 -5.57 0 2 0 34 450.707 14 ↓

Analogs

12503234
12503234
36378000
36378000

Draw Identity 99% 90% 80% 70%

Popular Name: Vitamin K1 Vitamin K1

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And 2 More

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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) 8.80 19.6 -5.55 0 2 0 34 450.707 14 ↓

Analogs

12503234
12503234
36378000
36378000

Draw Identity 99% 90% 80% 70%

Popular Name: Vitamin K1 Vitamin K1

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And 2 More

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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) 8.80 19.59 -5.58 0 2 0 34 450.707 14 ↓

Analogs

12503234
12503234
36378000
36378000

Draw Identity 99% 90% 80% 70%

Popular Name: Vitamin K1 Vitamin K1

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And 24 More

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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) 8.80 19.6 -5.6 0 2 0 34 450.707 14 ↓

Analogs

2162335
2162335
3861538
3861538

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Popular Name: PERILLYL ALCOHOL PERILLYL ALCOHOL

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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) 2.37 3.95 -3.02 1 1 0 20 152.237 2 ↓

Analogs

4521773
4521773
2162335
2162335

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Popular Name: (S)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol (S)-(4-(Prop-1-en-2-yl)cyclohex-…

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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) 2.37 3.94 -3.02 1 1 0 20 152.237 2 ↓

Analogs

1529472
1529472

Draw Identity 99% 90% 80% 70%

Popular Name: Perillaldehyde Perillaldehyde

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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) 2.83 2.56 -6.08 0 1 0 17 150.221 2 ↓

Analogs

1529473
1529473

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-4-(prop-1-En-2-yl)cyclohex-1-enecarbaldehyde (S)-4-(prop-1-En-2-yl)cyclohex-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) 2.83 2.57 -6.06 0 1 0 17 150.221 2 ↓

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page.format = basic
page.num = 1
catalog.name = hmdbplant
filter.purchasability = purchasable

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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  WHERE c.free = 1 AND c.short_name LIKE 'hmdbplant' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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