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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35459111
35459111

Draw Identity 99% 90% 80% 70%

Popular Name: Decyl glucoside Decyl glucoside

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 -1.21 -5.95 4 6 0 99 320.426 11 ↓

Analogs

8637880
8637880
12484934
12484934
12496764
12496764
12496767
12496767
12496774
12496774

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Popular Name: Retinol Retinol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.92 9.9 -4.1 1 1 0 20 286.459 5 ↓

Analogs

4353142
4353142
4353143
4353143
16029708
16029708
1532709
1532709

Draw Identity 99% 90% 80% 70%

Popular Name: D-Ribono-1,4-lactone D-Ribono-1,4-lactone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.34 -5.11 -13.48 3 5 0 87 148.114 1 ↓
Ref Reference (pH 7) -2.34 -6.62 -12.08 3 5 0 87 148.114 1 ↓
Mid Mid (pH 6-8) -1.86 -7.7 -50.2 3 5 -1 93 147.106 1 ↓

Analogs

4787862
4787862
4787865
4787865
4787868
4787868
4787871
4787871
895331
895331

Draw Identity 99% 90% 80% 70%

Popular Name: N-Acetyl-D-mannosamine N-Acetyl-D-mannosamine

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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) -3.08 -9.59 -13.35 5 7 0 119 221.209 2 ↓

Analogs

8218788
8218788

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Popular Name: Melezitose Melezitose

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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 -23.65 -19.26 11 16 0 269 504.438 8 ↓

Analogs

3872686
3872686

Draw Identity 99% 90% 80% 70%

Popular Name: 6-GINGEROL 6-GINGEROL

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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) 3.22 6.04 -12.03 2 4 0 67 294.391 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CPD-13455; justicidin B CPD-13455; justicidin B

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Vendors

    None

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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) 3.95 1.62 -17.14 0 6 0 63 364.353 3 ↓

Analogs

1258940
1258940

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Aminobenzyl alcohol 4-Aminobenzyl 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) 0.35 -0.3 -5.03 3 2 0 46 123.155 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Galangin Galangin

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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) 2.65 2.03 -10.35 3 5 0 91 270.24 1 ↓
Hi High (pH 8-9.5) 2.65 2.85 -56.02 2 5 -1 94 269.232 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Fisetin Fisetin

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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) 1.97 -1.09 -11.69 4 6 0 111 286.239 1 ↓
Hi High (pH 8-9.5) 1.97 -0.3 -54.07 3 6 -1 114 285.231 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-santalol alpha-santalol

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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 6.73 -2.9 1 1 0 20 220.356 4 ↓

Analogs

17002804
17002804

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-Santal-10-en-12-ol alpha-Santal-10-en-12-ol

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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 6.72 -2.91 1 1 0 20 220.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-LACTITOL MONOHYDRATE D-LACTITOL MONOHYDRATE

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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) -4.70 -18.02 -14.27 9 11 0 201 344.313 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Phenanthrene Phenanthrene

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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) 4.30 8.89 -5.28 0 0 0 0 178.234 0 ↓

Analogs

30731360
30731360
40164684
40164684
40164738
40164738
40164743
40164743
40164936
40164936

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-Dioctanoyl-sn-glycerol 1,2-Dioctanoyl-sn-glycerol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.69 2.62 -8.77 1 5 0 72 344.492 18 ↓

Analogs

22061499
22061499
33955641
33955641
8637880
8637880
12484934
12484934
12496764
12496764

Draw Identity 99% 90% 80% 70%

Popular Name: 13-Cis-retinol 13-Cis-retinol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.92 9.88 -3.71 1 1 0 20 286.459 5 ↓

Analogs

13509078
13509078
22066345
22066345
4096952
4096952
4228262
4228262

Draw Identity 99% 90% 80% 70%

Popular Name: 13-CIS-RETINAL 13-CIS-RETINAL

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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) 6.38 12.2 -7.71 0 1 0 17 284.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: RHAMNETIN RHAMNETIN

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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) 2.22 -0.74 -12.4 4 7 0 120 316.265 2 ↓
Hi High (pH 8-9.5) 2.22 0.25 -52.59 3 7 -1 123 315.257 2 ↓
Mid Mid (pH 6-8) 2.22 -0.4 -54.62 3 7 -1 123 315.257 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Turanose Turanose

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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) -4.79 -16.25 -19.66 8 11 0 197 342.297 8 ↓
Ref Reference (pH 7) -4.45 -17.15 -12.45 8 11 0 197 342.297 8 ↓
Hi High (pH 8-9.5) -4.79 -15.49 -66.22 7 11 -1 200 341.289 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Diphyllin Diphyllin

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And 3 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) 3.66 5.65 -15.74 1 7 0 83 380.352 3 ↓
Hi High (pH 8-9.5) 3.66 6.41 -41.24 0 7 -1 86 379.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propanaminium, 3-amino-N,N,N-tris(3-aminopropyl)-; CPD-13493; tetrakis(3-aminopropyl)ammonium 1-propanaminium, 3-amino-N,N,N-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.47 -2.58 -30.81 8 5 1 104 246.423 12 ↓
Lo Low (pH 4.5-6) -5.47 -2.2 -103.97 9 5 2 106 247.431 12 ↓
Lo Low (pH 4.5-6) -5.47 -1.81 -183.15 10 5 3 107 248.439 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LACTAMIDE LACTAMIDE

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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) -1.23 -3.8 -11.84 3 3 0 63 89.094 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LACTAMIDE LACTAMIDE

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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) -1.23 -3.85 -8.49 3 3 0 63 89.094 1 ↓

Analogs

3977894
3977894
4096845
4096845
4098556
4098556
4175638
4175638
4349341
4349341

Draw Identity 99% 90% 80% 70%

Popular Name: Hyperoside Hyperoside

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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) -0.36 -9.35 -19.37 8 12 0 211 464.379 4 ↓

Analogs

2545114
2545114
2597049
2597049
3606262
3606262
3830678
3830678
3830679
3830679

Draw Identity 99% 90% 80% 70%

Popular Name: L-GALACTOSE L-GALACTOSE

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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) -2.64 -10.01 -7.84 5 6 0 110 180.156 1 ↓

Analogs

4557376
4557376
4557377
4557377
5742781
5742781

Draw Identity 99% 90% 80% 70%

Popular Name: Sakuranin Sakuranin

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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) 0.40 -3.93 -12.64 5 10 0 155 448.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Butyl acetate Butyl acetate

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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) 1.82 4.67 -4.91 0 2 0 26 116.16 4 ↓

Analogs

32840814
32840814

Draw Identity 99% 90% 80% 70%

Popular Name: MG(0:0/16:0/0:0) MG(0:0/16:0/0:0)

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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) 6.09 -0.33 -7.92 2 4 0 66 330.509 18 ↓

Analogs

5158849
5158849
5767128
5767128
5767141
5767141
5767264
5767264
5767272
5767272

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-Bisabolol alpha-Bisabolol

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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) 4.68 0.88 -1.76 1 1 0 20 222.372 4 ↓

Analogs

16051948
16051948
16051949
16051949
32786364
32786364
32786368
32786368
40164306
40164306

Draw Identity 99% 90% 80% 70%

Popular Name: C-16 Ceramide C-16 Ceramide

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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) 9.77 17.66 -6.98 3 4 0 70 537.914 30 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tripalmitin tripalmitin

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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) 10.67 38.95 -9.43 0 6 0 79 807.339 50 ↓

Analogs

5824770
5824770
14556357
14556357
31334855
31334855
33953406
33953406

Draw Identity 99% 90% 80% 70%

Popular Name: Pseudoionone Pseudoionone

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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) 3.90 3.44 -5.11 0 1 0 17 192.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: sophorose sophorose

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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) -4.30 -14.62 -15.27 8 11 0 197 342.297 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Chitin Chitin

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.57 -18.99 -37.57 11 19 0 295 627.597 10 ↓
Ref Reference (pH 7) -5.18 -30.58 -31.69 11 19 0 306 627.597 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Valencene Valencene

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.01 8.6 -0.53 0 0 0 0 204.357 1 ↓

Analogs

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Popular Name: 1-HYDROXY-2-BUTANONE 1-HYDROXY-2-BUTANONE

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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) -0.27 -3.35 -15.46 1 2 0 37 88.106 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Crotyl alcohol Crotyl 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) 0.58 0.13 -3.03 1 1 0 20 72.107 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Octen-2-one 3-Octen-2-one

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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 5.76 -5.02 0 1 0 17 126.199 4 ↓
Ref Reference (pH 7) 2.56 5.73 -4.35 0 1 0 17 126.199 4 ↓

Analogs

4972803
4972803
4972805
4972805
5275254
5275254
5275294
5275294
5275632
5275632

Draw Identity 99% 90% 80% 70%

Popular Name: 5alpha-Androstane-3alpha,17beta-diol 5alpha-Androstane-3alpha,17beta-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 4.66 -3.33 2 2 0 40 292.463 0 ↓

Analogs

40164738
40164738
40164743
40164743
40164936
40164936
43284771
43284771
8214428
8214428

Draw Identity 99% 90% 80% 70%

Popular Name: DG(16:0/16:0/0:0) DG(16:0/16:0/0:0)

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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) 9.91 24.49 -8.34 1 5 0 73 568.924 34 ↓

Analogs

43552983
43552983
8860496
8860496

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Popular Name: Cer(d18:0/16:0) Cer(d18:0/16:0)

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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) 9.81 17.74 -7.11 3 4 0 70 539.93 31 ↓

Analogs

6092516
6092516
39293617
39293617
39329865
39329865
39329867
39329867
44198529
44198529

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Popular Name: 3-Phenoxybenzyl alcohol 3-Phenoxybenzyl 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) 3.01 4.73 -6.91 1 2 0 29 200.237 3 ↓

Analogs

5529981
5529981
4063366
4063366
4063367
4063367

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Popular Name: Androst-4-en-19-al,3,17-dioxo- Androst-4-en-19-al,3,17-dioxo-

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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) 2.33 2.22 -13.02 0 3 0 51 300.398 1 ↓

Analogs

5529981
5529981
4063366
4063366
4063367
4063367

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Popular Name: Androst-4-en-19-al,3,17-dioxo- Androst-4-en-19-al,3,17-dioxo-

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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) 2.33 2.33 -13.35 0 3 0 51 300.398 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Androst-4-en-19-al,3,17-dioxo- Androst-4-en-19-al,3,17-dioxo-

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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) 2.33 2.22 -11.05 0 3 0 51 300.398 1 ↓

Analogs

5529981
5529981
4063366
4063366
4063367
4063367

Draw Identity 99% 90% 80% 70%

Popular Name: Androst-4-en-19-al,3,17-dioxo- Androst-4-en-19-al,3,17-dioxo-

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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) 2.33 2.36 -13.69 0 3 0 51 300.398 1 ↓

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Popular Name: 2,5-Dichloro-1,4-benzoquinone 2,5-Dichloro-1,4-benzoquinone

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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) 1.77 3.84 -4.03 0 2 0 34 176.986 0 ↓

Analogs

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Popular Name: trans-2-Octenal trans-2-Octenal

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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 2.29 -5.98 0 1 0 17 126.199 5 ↓

Analogs

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Popular Name: Permethrin Permethrin

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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) 6.61 13.77 -6.43 0 3 0 36 391.294 7 ↓

Analogs

1530800
1530800
32153077
32153077

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Popular Name: Malathion Malathion

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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) 2.32 11.04 -17.77 0 6 0 71 330.364 11 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = biocycviapc
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 'biocycviapc' 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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