UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside 3,5-dihydroxy-4-[3-(4-hydroxyphe…

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.17 -8.74 -25.92 9 14 0 236 582.555 9 ↓
Hi High (pH 8-9.5) 0.17 -8.01 -57.24 8 14 -1 239 581.547 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside 3,5-dihydroxy-4-[3-(4-hydroxyphe…

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.17 -8.46 -26.02 9 14 0 236 582.555 9 ↓
Hi High (pH 8-9.5) 0.17 -7.73 -57.43 8 14 -1 239 581.547 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside 3,5-dihydroxy-4-[3-(4-hydroxyphe…

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.17 -7.88 -23.59 9 14 0 236 582.555 9 ↓
Hi High (pH 8-9.5) 0.17 -7.16 -56.52 8 14 -1 239 581.547 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside 3,5-dihydroxy-4-[3-(4-hydroxyphe…

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.17 -7.27 -27.01 9 14 0 236 582.555 9 ↓
Hi High (pH 8-9.5) 0.17 -6.54 -59.14 8 14 -1 239 581.547 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Oleanolic acid Oleanolic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 16 More

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) 6.73 12.27 -52.74 1 3 -1 60 455.703 1 ↓
Lo Low (pH 4.5-6) 6.73 10.3 -5.37 2 3 0 58 456.711 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Baicailin Baicailin

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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) 0.55 -0.5 -51.58 5 11 -1 190 445.356 4 ↓
Hi High (pH 8-9.5) 0.55 0.57 -117.87 4 11 -2 193 444.348 4 ↓

Analogs

33949416
33949416
33949417
33949417
33949418
33949418

Draw Identity 99% 90% 80% 70%

Popular Name: Baicailin Baicailin

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 0.55 -0.55 -50.78 5 11 -1 190 445.356 4 ↓
Hi High (pH 8-9.5) 0.55 0.52 -114.09 4 11 -2 193 444.348 4 ↓

Analogs

4349040
4349040
4349042
4349042
12153569
12153569
13424717
13424717
3943903
3943903

Draw Identity 99% 90% 80% 70%

Popular Name: Baicailin Baicailin

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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) 0.55 0.3 -54.78 5 11 -1 190 445.356 4 ↓
Hi High (pH 8-9.5) 0.55 1.37 -119.67 4 11 -2 193 444.348 4 ↓

Analogs

33949416
33949416
33949417
33949417
33949418
33949418

Draw Identity 99% 90% 80% 70%

Popular Name: Baicailin Baicailin

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 0.55 0.46 -54.57 5 11 -1 190 445.356 4 ↓
Hi High (pH 8-9.5) 0.55 1.53 -117.55 4 11 -2 193 444.348 4 ↓

Analogs

4098855
4098855

Draw Identity 99% 90% 80% 70%

Popular Name: Peganine Peganine

Find On: PubMed — Wikipedia — Google

Vendors

And 30 More

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) 1.04 3.34 -26.34 2 3 1 37 189.238 0 ↓
Ref Reference (pH 7) 1.04 3.34 -26.08 2 3 1 37 189.238 0 ↓
Hi High (pH 8-9.5) 1.04 2.91 -8.05 1 3 0 36 188.23 0 ↓

Analogs

4349869
4349869
4349874
4349874
4349876
4349876

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-5-oxo-oxocane-2,3-dicarboxylic 3-hydroxy-5-oxo-oxocane-2,3-dica…

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.96 -1.78 -121.58 1 7 -2 126 230.172 2 ↓

Analogs

4349879
4349879
4349869
4349869
4349874
4349874

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-5-oxo-oxocane-2,3-dicarboxylic 3-hydroxy-5-oxo-oxocane-2,3-dica…

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.96 -1.93 -133.06 1 7 -2 126 230.172 2 ↓

Analogs

4349876
4349876
4349879
4349879
4349869
4349869

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-5-oxo-oxocane-2,3-dicarboxylic 3-hydroxy-5-oxo-oxocane-2,3-dica…

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.96 -2.14 -133.3 1 7 -2 126 230.172 2 ↓

Analogs

4349874
4349874
4349876
4349876
4349879
4349879

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-5-oxo-oxocane-2,3-dicarboxylic 3-hydroxy-5-oxo-oxocane-2,3-dica…

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.96 -1.78 -120.35 1 7 -2 126 230.172 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methoxybenzyl alcohol 2-Methoxybenzyl alcohol

Find On: PubMed — Wikipedia — Google

Vendors

And 36 More

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) 1.28 1.33 -5.04 1 2 0 29 138.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Quercetin Quercetin

Find On: PubMed — Wikipedia — Google

Vendors

And 81 More

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) 1.68 -2.9 -13.58 5 7 0 131 302.238 1 ↓
Mid Mid (pH 6-8) 1.94 -2.61 -43.8 4 7 -1 134 301.23 1 ↓

Analogs

4097483
4097483
4262017
4262017
4556958
4556958

Draw Identity 99% 90% 80% 70%

Popular Name: Naringin [10236-47-2] Naringin [10236-47-2]

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.73 -15.12 -17.02 6 10 0 158 340.325 4 ↓

Analogs

4097483
4097483
4262017
4262017
4556958
4556958

Draw Identity 99% 90% 80% 70%

Popular Name: Naringin [10236-47-2] Naringin [10236-47-2]

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.73 -15.04 -17.11 6 10 0 158 340.325 4 ↓

Analogs

4097483
4097483
4262017
4262017
4556958
4556958

Draw Identity 99% 90% 80% 70%

Popular Name: Naringin [10236-47-2] Naringin [10236-47-2]

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.73 -14.38 -18.56 6 10 0 158 340.325 4 ↓

Analogs

4097483
4097483
4262017
4262017
4556958
4556958

Draw Identity 99% 90% 80% 70%

Popular Name: Naringin [10236-47-2] Naringin [10236-47-2]

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.73 -14.18 -18.25 6 10 0 158 340.325 4 ↓

Analogs

4935
4935
156701
156701
338283
338283
338284
338284
895707
895707

Draw Identity 99% 90% 80% 70%

Popular Name: Naringenin Naringenin

Find On: PubMed — Wikipedia — Google

Vendors

And 57 More

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) 2.12 0.86 -10.73 3 5 0 87 272.256 1 ↓
Hi High (pH 8-9.5) 2.12 1.85 -51.81 2 5 -1 90 271.248 1 ↓

Analogs

519174
519174
2146973
2146973
4935
4935

Draw Identity 99% 90% 80% 70%

Popular Name: Naringenin Naringenin

Find On: PubMed — Wikipedia — Google

Vendors

And 57 More

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) 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

8143556
8143556
8143560
8143560
8143564
8143564
8143568
8143568

Draw Identity 99% 90% 80% 70%

Popular Name: Hesperidin Hesperidin

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.55 -16.96 -21.36 8 15 0 234 610.565 7 ↓

Analogs

8143556
8143556
8143560
8143560
8143564
8143564
8143568
8143568

Draw Identity 99% 90% 80% 70%

Popular Name: Hesperidin Hesperidin

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.55 -16.87 -21.47 8 15 0 234 610.565 7 ↓

Analogs

8143556
8143556
8143560
8143560
8143564
8143564
8143568
8143568

Draw Identity 99% 90% 80% 70%

Popular Name: Hesperidin Hesperidin

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.55 -15.81 -19.4 8 15 0 234 610.565 7 ↓

Analogs

8143556
8143556
8143560
8143560
8143564
8143564
8143568
8143568

Draw Identity 99% 90% 80% 70%

Popular Name: Hesperidin Hesperidin

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.55 -16.01 -21.97 8 15 0 234 610.565 7 ↓

Analogs

2149675
2149675

Draw Identity 99% 90% 80% 70%

Popular Name: Genistein Genistein

Find On: PubMed — Wikipedia — Google

Vendors

And 50 More

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) 2.27 1.08 -13.3 3 5 0 91 270.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Formononetin Formononetin

Find On: PubMed — Wikipedia — Google

Vendors

And 41 More

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) 3.10 4.79 -11.77 1 4 0 60 268.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-Dihydroxycoumarin 6-glucoside sesquihydrate 6,7-Dihydroxycoumarin 6-glucosid…

Find On: PubMed — Wikipedia — Google

Vendors

And 12 More

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) -0.99 -9.69 -15.38 5 9 0 149 340.284 3 ↓

Analogs

519548
519548
3894276
3894276
3894277
3894277
4245693
4245693
8681624
8681624

Draw Identity 99% 90% 80% 70%

Popular Name: ESCULIN ESCULIN

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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) -0.99 -5.17 -15.27 5 9 0 150 340.284 3 ↓

Analogs

4245693
4245693
25559151
25559151
19968
19968

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-Dihydroxycoumarin 6-glucoside sesquihydrate 6,7-Dihydroxycoumarin 6-glucosid…

Find On: PubMed — Wikipedia — Google

Vendors

And 11 More

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) -0.99 -4.36 -16.15 5 9 0 150 340.284 3 ↓

Analogs

4245693
4245693
8681624
8681624
11680913
11680913
11680919
11680919
25559151
25559151

Draw Identity 99% 90% 80% 70%

Popular Name: ESCULIN ESCULIN

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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) -0.99 -4.21 -17.04 5 9 0 150 340.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Daidzein Daidzein

Find On: PubMed — Wikipedia — Google

Vendors

And 50 More

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

Analogs

5368587
5368587
5945454
5945454
13536861
13536861

Draw Identity 99% 90% 80% 70%

Popular Name: Piperine Piperine

Find On: PubMed — Wikipedia — Google

Vendors

And 42 More

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) 3.33 7.98 -12.07 0 4 0 39 285.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Bakuchiol Bakuchiol

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

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) 5.90 2.24 -3.9 1 1 0 20 256.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: beta-asarone beta-asarone

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 2.49 4.93 -6.9 0 3 0 28 208.257 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Alpha-asarone Alpha-asarone

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

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) 2.49 2.4 -7.15 0 3 0 27 208.257 4 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = indofinenp-d
filter.purchasability = purchasable

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  WHERE c.free = 1 AND c.short_name LIKE 'indofinenp-d' 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

Permalink

//zinc12.docking.org/results/combination?catalog.name=indofinenp-d&filter.purchasability=purchasable

Embed Link to Results