UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methoxyestrone 2-Methoxyestrone

Find On: PubMed — Wikipedia — Google

Vendors

And 1 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) 3.06 0.19 -9.4 1 3 0 46 300.398 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cortexolone Cortexolone

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) 2.53 -1.85 -13.19 2 4 0 74 346.467 2 ↓

Analogs

5273724
5273724
11678687
11678687
11678690
11678690
11678694
11678694
11678697
11678697

Draw Identity 99% 90% 80% 70%

Popular Name: CORTEXOLONE CORTEXOLONE

Find On: PubMed — Wikipedia — Google

Vendors

And 14 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) 2.53 5.26 -12.98 2 4 0 75 346.467 2 ↓

Analogs

4340391
4340391
4416912
4416912
4416913
4416913
4416914
4416914
4416915
4416915

Draw Identity 99% 90% 80% 70%

Popular Name: Desoxycorticosterone Desoxycorticosterone

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) 2.80 8.44 -13.86 1 3 0 54 330.468 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: EPIANDROSTERONE EPIANDROSTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 23 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) 3.43 6.76 -6.06 1 2 0 37 290.447 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROSTERONE ANDROSTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 19 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) 3.43 6.9 -6.34 1 2 0 37 290.447 0 ↓

Analogs

5758784
5758784
5761104
5761104
5761339
5761339
5922924
5922924
5925643
5925643

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Dehydrocholesterol 7-Dehydrocholesterol

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) 7.44 12.7 -2.05 1 1 0 20 384.648 5 ↓

Analogs

120294
120294
2046798
2046798

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROSTENEDIONE ANDROSTENEDIONE

Find On: PubMed — Wikipedia — Google

Vendors

And 15 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) 3.06 9.29 -10.68 0 2 0 34 286.415 0 ↓
Ref Reference (pH 7) 3.06 9.39 -9.03 0 2 0 34 286.415 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cortisol Cortisol

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) 1.62 -3.47 -14.16 3 5 0 94 362.466 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cholesterol Cholesterol

Find On: PubMed — Wikipedia — Google

Vendors

And 56 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) 7.62 12.78 -1.53 1 1 0 20 386.664 5 ↓

Analogs

3978429
3978429
3978430
3978430
3978780
3978780
3978781
3978781
3978783
3978783

Draw Identity 99% 90% 80% 70%

Popular Name: Cholesterol Cholesterol

Find On: PubMed — Wikipedia — Google

Vendors

And 1 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) 7.62 12.94 -1.98 1 1 0 20 386.664 5 ↓

Analogs

3882018
3882018
3882019
3882019
3882020
3882020
3882021
3882021
3977900
3977900

Draw Identity 99% 90% 80% 70%

Popular Name: PRASTERONE PRASTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 8 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) 3.25 7.14 -6.11 1 2 0 37 288.431 0 ↓

Analogs

3882018
3882018
3882019
3882019
3882020
3882020
3882021
3882021
5275781
5275781

Draw Identity 99% 90% 80% 70%

Popular Name: PRASTERONE PRASTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 7 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) 3.25 7.25 -6.07 1 2 0 37 288.431 0 ↓

Analogs

490588
490588
1036928
1036928

Draw Identity 99% 90% 80% 70%

Popular Name: PRASTERONE PRASTERONE

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) 3.25 7.09 -6.2 1 2 0 37 288.431 0 ↓

Analogs

3882018
3882018
3882019
3882019
3882020
3882020
3882021
3882021
3977900
3977900

Draw Identity 99% 90% 80% 70%

Popular Name: DEHYDROEPIANDROSTERONE DEHYDROEPIANDROSTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 23 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) 3.25 6.94 -6.17 1 2 0 37 288.431 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Choline chloride Choline chloride

Find On: PubMed — Wikipedia — Google

Vendors

And 90 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) -4.24 2.42 -27.92 1 2 1 20 104.173 2 ↓

Analogs

1532640
1532640

Draw Identity 99% 90% 80% 70%

Popular Name: Galactitol Galactitol

Find On: PubMed — Wikipedia — Google

Vendors

And 14 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) -3.09 -12.44 -11.19 6 6 0 121 182.172 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Estrone Estrone

Find On: PubMed — Wikipedia — Google

Vendors

And 39 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) 3.24 7.14 -7.63 1 2 0 37 270.372 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Estradiol Estradiol

Find On: PubMed — Wikipedia — Google

Vendors

And 64 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) 3.43 4.8 -5.19 2 2 0 40 272.388 0 ↓

Analogs

3881360
3881360
3977996
3977996
3977997
3977997
3977998
3977998
4213126
4213126

Draw Identity 99% 90% 80% 70%

Popular Name: Estriol Estriol

Find On: PubMed — Wikipedia — Google

Vendors

And 27 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) 2.51 1.56 -6.31 3 3 0 61 288.387 0 ↓

Analogs

11592545
11592545
11592546
11592546
103270
103270
490793
490793

Draw Identity 99% 90% 80% 70%

Popular Name: Testosterone Testosterone

Find On: PubMed — Wikipedia — Google

Vendors

And 23 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) 3.25 7.07 -7.05 1 2 0 37 288.431 0 ↓
Ref Reference (pH 7) 3.99 5.16 -4.08 2 2 0 40 288.431 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thiamine Thiamine

Find On: PubMed — Wikipedia — Google

Vendors

And 72 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) -3.45 2.52 -31.62 3 5 1 76 265.362 4 ↓
Lo Low (pH 4.5-6) -3.45 2.98 -89.37 4 5 2 77 266.37 4 ↓

Analogs

3650334
3650334
11565587
11565587
1532585
1532585

Draw Identity 99% 90% 80% 70%

Popular Name: Riboflavin Riboflavin

Find On: PubMed — Wikipedia — Google

Vendors

And 54 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) -0.76 -5.52 -24.21 5 10 0 162 376.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Mannitol Mannitol

Find On: PubMed — Wikipedia — Google

Vendors

And 80 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) -3.09 -11.21 -11.01 6 6 0 121 182.172 5 ↓

Analogs

3882018
3882018
3882019
3882019
3882020
3882020
3882021
3882021
3977900
3977900

Draw Identity 99% 90% 80% 70%

Popular Name: Pregnenolone Pregnenolone

Find On: PubMed — Wikipedia — Google

Vendors

And 2 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) 3.99 0.11 -5.83 1 2 0 37 316.485 1 ↓

Analogs

32785907
32785907
32785909
32785909
1531533
1531533
6845904
6845904

Draw Identity 99% 90% 80% 70%

Popular Name: Squalene Squalene

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) 9.62 21.67 -1.06 0 0 0 0 410.73 15 ↓

Analogs

4556538
4556538
4556539
4556539
4556540
4556540
4556541
4556541
5224785
5224785

Draw Identity 99% 90% 80% 70%

Popular Name: Sucrose Sucrose

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) -3.75 -15.29 -14.88 8 11 0 189 342.297 5 ↓

Analogs

6067785
6067785
17020799
17020799
36371061
36371061
36371062
36371062
40164529
40164529

Draw Identity 99% 90% 80% 70%

Popular Name: TETRAHYDROCORTICOSTERONE TETRAHYDROCORTICOSTERONE

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) 2.25 -3.96 -11.22 3 4 0 77 350.499 2 ↓

Analogs

8637880
8637880
12484934
12484934
12496764
12496764
12496767
12496767
12496774
12496774

Draw Identity 99% 90% 80% 70%

Popular Name: Retinol Retinol

Find On: PubMed — Wikipedia — Google

Vendors

And 21 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) 5.92 9.9 -4.1 1 1 0 20 286.459 5 ↓

Analogs

26301
26301

Draw Identity 99% 90% 80% 70%

Popular Name: 16b-Hydroxyestrone 16b-Hydroxyestrone

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) 2.33 -2.91 -7.64 2 3 0 57 286.371 0 ↓

Analogs

6692759
6692759
6692771
6692771
6692791
6692791
6692801
6692801

Draw Identity 99% 90% 80% 70%

Popular Name: 16alpha-hydroxypregnenolone 16alpha-hydroxypregnenolone

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) 3.08 -2.79 -6.61 2 3 0 57 332.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 18-hydroxycorticosterone 18-hydroxycorticosterone

Find On: PubMed — Wikipedia — Google

Vendors

And 2 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) 0.71 -2.73 -14.1 3 5 0 94 362.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 16-Oxoandrostenediol 16-Oxoandrostenediol

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) 2.33 4.09 -5.74 2 3 0 58 304.43 0 ↓

Analogs

6067733
6067733

Draw Identity 99% 90% 80% 70%

Popular Name: 16alpha-Hydroxyestrone 16alpha-Hydroxyestrone

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) 2.33 3.78 -7.98 2 3 0 58 286.371 0 ↓

Analogs

4546563
4546563
25757123
25757123

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Hydroxyestradiol 2-Hydroxyestradiol

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) 2.94 2.72 -7.57 3 3 0 61 288.387 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Hydroxyestrone 2-Hydroxyestrone

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) 2.75 -1.75 -10.23 2 3 0 57 286.371 0 ↓

Analogs

585979
585979
1736208
1736208

Draw Identity 99% 90% 80% 70%

Popular Name: 16-EPIESTRIOL 16-EPIESTRIOL

Find On: PubMed — Wikipedia — Google

Vendors

And 2 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) 2.51 2.81 -7.02 3 3 0 61 288.387 0 ↓

Analogs

1373
1373
525563
525563
525565
525565
525566
525566
585979
585979

Draw Identity 99% 90% 80% 70%

Popular Name: 17-Epiestriol 17-Epiestriol

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) 2.51 -4.62 -6.56 3 3 0 61 288.387 0 ↓

Analogs

1373
1373
525563
525563
525565
525565
525566
525566
585979
585979

Draw Identity 99% 90% 80% 70%

Popular Name: estriol estriol

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) 2.51 -4.57 -7.02 3 3 0 61 288.387 0 ↓

Analogs

585979
585979
1736208
1736208

Draw Identity 99% 90% 80% 70%

Popular Name: 17-EPIESTRIOL 17-EPIESTRIOL

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) 2.51 2.65 -6.17 3 3 0 61 288.387 0 ↓

Analogs

3843834
3843834

Draw Identity 99% 90% 80% 70%

Popular Name: 17ALPHA-HYDROXYPREGNENOLONE 17ALPHA-HYDROXYPREGNENOLONE

Find On: PubMed — Wikipedia — Google

Vendors

And 7 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) 3.05 5.06 -5.89 2 3 0 58 332.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Epietiocholanolone Epietiocholanolone

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) 3.43 -0.33 -5.82 1 2 0 37 290.447 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3b,17b-Dihydroxyetiocholane 3b,17b-Dihydroxyetiocholane

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) 3.61 4.6 -3.48 2 2 0 40 292.463 0 ↓

Analogs

4972803
4972803
4972805
4972805
5275254
5275254
5275294
5275294
5275632
5275632

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROSTANDIOL ANDROSTANDIOL

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) 3.61 -3.11 -3.45 2 2 0 40 292.463 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 16-Oxoestrone 16-Oxoestrone

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) 2.14 -0.14 -11.03 1 3 0 54 284.355 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 17ALPHA-HYDROXYPROGESTERONE 17ALPHA-HYDROXYPROGESTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 20 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) 2.86 7.5 -9.66 1 3 0 54 330.468 1 ↓

Analogs

1682410
1682410
2114387
2114387
2114389
2114389
2114390
2114390
2539717
2539717

Draw Identity 99% 90% 80% 70%

Popular Name: 3a,17a-Dihydroxy-5b-androstane 3a,17a-Dihydroxy-5b-androstane

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) 3.61 -2.88 -4.12 2 2 0 40 292.463 0 ↓

Analogs

1682410
1682410
2114387
2114387
2114389
2114389
2114390
2114390
2539717
2539717

Draw Identity 99% 90% 80% 70%

Popular Name: 5a-Androstane-3a,17a-diol 5a-Androstane-3a,17a-diol

Find On: PubMed — Wikipedia — Google

Vendors

And 1 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) 3.61 -2.93 -4.33 2 2 0 40 292.463 0 ↓

Analogs

3996018
3996018
5855431
5855431
6482664
6482664
22062280
22062280
34019293
34019293

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methoxyestradiol 2-Methoxyestradiol

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) 3.25 4.79 -6.89 2 3 0 50 302.414 1 ↓

Analogs

4556638
4556638

Draw Identity 99% 90% 80% 70%

Popular Name: 16-Ketoestradiol 16-Ketoestradiol

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) 2.33 -2.73 -7.53 2 3 0 57 286.371 0 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = hmdbfood
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 'hmdbfood' 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=hmdbfood&filter.purchasability=purchasable

Embed Link to Results