UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 9-cis-beta-carotene 9-cis-beta-carotene

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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) 9.84 25.65 -2.59 0 0 0 0 536.888 10 ↓

Analogs

5158849
5158849
5767128
5767128
5767141
5767141
5767264
5767264
5767272
5767272

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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 7.55 -1.85 1 1 0 20 222.372 4 ↓

Analogs

8234282
8234282

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Popular Name: (E)-2-epi-beta-caryophyllene (E)-2-epi-beta-caryophyllene

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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) 5.17 9.4 -0.55 0 0 0 0 204.357 0 ↓

Analogs

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Popular Name: (-)-alpha-isocomene (-)-alpha-isocomene

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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) 4.60 8.99 -0.44 0 0 0 0 204.357 0 ↓

Analogs

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Popular Name: trans-anol trans-anol

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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 0 -3.77 1 1 0 20 134.178 1 ↓

Analogs

39119524
39119524

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Popular Name: Noreugenin Noreugenin

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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) 1.25 1.03 -18.94 2 4 0 71 192.17 0 ↓
Hi High (pH 8-9.5) 1.25 2.04 -64.45 1 4 -1 73 191.162 0 ↓

Analogs

34702404
34702404
34702405
34702405

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Popular Name: (+)-secoisolariciresinol (+)-secoisolariciresinol

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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) 2.08 0.62 -13.46 4 6 0 99 362.422 9 ↓

Analogs

4098820
4098820
14435804
14435804
14435806
14435806
14435808
14435808
14435810
14435810

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Popular Name: (-)-lariciresinol (-)-lariciresinol

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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 1.09 -13.83 3 6 0 88 360.406 6 ↓

Analogs

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Popular Name: norsolorinic acid norsolorinic 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) 4.45 -3.25 -15.36 4 7 0 132 370.357 5 ↓

Analogs

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Popular Name: 2,5-Furandimethanol 2,5-Furandimethanol

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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) 0.11 -3.66 -9.08 2 3 0 53 128.127 2 ↓

Analogs

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Popular Name: Furfuryl alcohol Furfuryl 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) 0.53 -0.08 -6.23 1 2 0 33 98.101 1 ↓

Analogs

22061188
22061188
34206295
34206295
34206296
34206296

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Popular Name: (3S)-all-trans-3-hydroxyretinal (3S)-all-trans-3-hydroxyretinal

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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) 5.23 8.92 -11.66 1 2 0 37 300.442 5 ↓

Analogs

22061186
22061186
22061188
22061188

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Popular Name: (3S)-11-cis-3-hydroxyretinal (3S)-11-cis-3-hydroxyretinal

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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) 5.22 8.75 -9.1 1 2 0 37 300.442 5 ↓

Analogs

968030
968030
968031
968031

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Popular Name: Beta-cyclocitral Beta-cyclocitral

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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) 3.20 5.98 -4.91 0 1 0 17 152.237 1 ↓
Ref Reference (pH 7) 3.37 5.8 -3.72 0 1 0 17 152.237 1 ↓

Analogs

1730254
1730254
1730255
1730255
1730256
1730256
36177025
36177025
1532339
1532339

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Popular Name: Lauryltrimethylammonium bromide Lauryltrimethylammonium bromide

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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) 1.84 4.92 -28.96 0 1 1 0 228.444 11 ↓

Analogs

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Popular Name: 1,3-Dihydroimidazol-2-one 1,3-Dihydroimidazol-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) -0.43 -0.71 -10.47 2 3 0 49 84.078 0 ↓

Analogs

26894810
26894810
33338142
33338142
44632623
44632623
6002543
6002543

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Popular Name: ecgonone methyl ester ecgonone methyl ester

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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) 0.25 3.44 -6.1 0 4 0 47 197.234 2 ↓

Analogs

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Popular Name: 1,3-Dioxolan-2-one 1,3-Dioxolan-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) 0.01 1.95 -10.48 0 3 0 36 88.062 0 ↓

Analogs

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Popular Name: 2-Ethyl-3-hydroxy-4H-pyran-4-one 2-Ethyl-3-hydroxy-4H-pyran-4-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) 0.33 1.94 -13.61 1 3 0 50 140.138 1 ↓

Analogs

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Popular Name: Propane-1,2,3-triyl-2-ethylhexanoate Propane-1,2,3-triyl-2-ethylhexan…

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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) 8.90 18.86 -8.04 0 6 0 79 470.691 23 ↓

Analogs

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Popular Name: Propane-1,2,3-triyl-2-ethylhexanoate Propane-1,2,3-triyl-2-ethylhexan…

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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) 8.90 18.83 -8.02 0 6 0 79 470.691 23 ↓

Analogs

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Popular Name: Propane-1,2,3-triyl-2-ethylhexanoate Propane-1,2,3-triyl-2-ethylhexan…

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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) 8.90 18.74 -7.8 0 6 0 79 470.691 23 ↓

Analogs

5353709
5353709
39236907
39236907

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Popular Name: Isopropyl 4-hydroxybenzoate Isopropyl 4-hydroxybenzoate

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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 0.62 -6.76 1 3 0 47 180.203 3 ↓

Analogs

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Popular Name: Isobutyl 4-hydroxybenzoate Isobutyl 4-hydroxybenzoate

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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) 2.75 0.75 -6.23 1 3 0 46 194.23 4 ↓

Analogs

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Popular Name: N,N-Dimethylacetamide N,N-Dimethylacetamide

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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) -0.74 1.62 -8.15 0 2 0 20 87.122 0 ↓

Analogs

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Popular Name: Octyldodecanol (NF) Octyldodecanol (NF)

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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) 8.69 12.46 -1.85 1 1 0 20 298.555 17 ↓
Ref Reference (pH 7) 8.69 12.47 -1.87 1 1 0 20 298.555 17 ↓

Analogs

5922900
5922900
5925611
5925611

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Popular Name: (S)-(+)-1,3-BUTANEDIOL (S)-(+)-1,3-BUTANEDIOL

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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) -0.32 -2.94 -3.63 2 2 0 40 90.122 2 ↓

Analogs

5922900
5922900
5925611
5925611

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Popular Name: (R)-(-)-1,3-Butanediol (R)-(-)-1,3-Butanediol

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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) -0.32 -2.95 -4.44 2 2 0 40 90.122 2 ↓

Analogs

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Popular Name: 1,2,6-Hexanetriol 1,2,6-Hexanetriol

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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) -0.55 -4.46 -6.76 3 3 0 61 134.175 5 ↓

Analogs

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Popular Name: 1,2,6-Hexanetriol 1,2,6-Hexanetriol

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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) -0.55 -4.45 -6.76 3 3 0 61 134.175 5 ↓

Analogs

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Popular Name: N-ACETYL-D-GLUCOSAMINE N-ACETYL-D-GLUCOSAMINE

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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 -9.7 -12.42 5 7 0 119 221.209 2 ↓
Ref Reference (pH 7) -2.56 -13.08 -11.05 5 7 0 123 221.209 2 ↓

Analogs

44217631
44217631
44217634
44217634
44217637
44217637
44217640
44217640
44227455
44227455

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Popular Name: 2-Hydroxycineol 2-Hydroxycineol

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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) 1.80 2.05 -3.05 1 2 0 29 170.252 0 ↓

Analogs

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Popular Name: Isobutyraldehyde oxime Isobutyraldehyde oxime

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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) 0.98 0.61 -3.97 1 2 0 33 87.122 1 ↓
Ref Reference (pH 7) 0.98 0.64 -4.39 1 2 0 33 87.122 1 ↓

Analogs

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Popular Name: 2-methylbutanal oxime 2-methylbutanal oxime

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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) 1.49 1.28 -4.34 1 2 0 33 101.149 2 ↓

Analogs

8216125
8216125

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Popular Name: Tetramethylammonium iodide Tetramethylammonium iodide

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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) -3.63 3.78 -27.72 0 1 1 0 74.147 0 ↓

Analogs

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Popular Name: LS-80533 LS-80533

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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) 1.33 3.24 -21.11 2 6 0 76 229.243 1 ↓

Analogs

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Popular Name: C20289; N-Hydroxy-IQ C20289; N-Hydroxy-IQ

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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) 1.62 4.53 -15.9 2 5 0 63 214.228 1 ↓
Mid Mid (pH 6-8) 1.62 4.99 -32.06 3 5 1 64 215.236 1 ↓
Lo Low (pH 4.5-6) 1.62 5.27 -81.01 4 5 2 65 216.244 1 ↓

Analogs

34979741
34979741

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Popular Name: N-[1,1'-biphenyl]-4-ylacetamide N-[1,1'-biphenyl]-4-ylacetamide

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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) 2.95 0.62 -10.14 1 2 0 29 211.264 2 ↓

Analogs

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Popular Name: LS-190358 LS-190358

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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) -2.26 1.5 -25.48 0 2 1 28 105.12 0 ↓

Analogs

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Popular Name: 1-(4-Hydroxyphenylazo)-2-naphthol; 4'-OH-Sudan I; C20281 1-(4-Hydroxyphenylazo)-2-naphtho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.54 3.92 -10.4 2 4 0 65 264.284 2 ↓
Hi High (pH 8-9.5) 4.54 4.69 -47.21 1 4 -1 68 263.276 2 ↓
Hi High (pH 8-9.5) 4.54 3.69 -46.57 1 4 -1 68 263.276 2 ↓

Analogs

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Popular Name: (+)-Sativene; C20275 (+)-Sativene; C20275

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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) 5.54 9.05 -0.08 0 0 0 0 204.357 1 ↓

Analogs

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Popular Name: Combretastatin A4 Combretastatin A4

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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) 3.47 5.32 -10.67 1 5 0 57 316.353 6 ↓

Analogs

4228258
4228258
13585233
13585233
13815072
13815072
13815079
13815079
895154
895154

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Popular Name: Tetrahydrobiopterin Tetrahydrobiopterin

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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) -1.15 -5.14 -22.67 7 8 0 136 241.251 2 ↓

Analogs

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Popular Name: Dihydrobiopterin Dihydrobiopterin

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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) -1.65 -3.89 -16.51 6 8 0 137 239.235 2 ↓

Analogs

5719078
5719078
32214675
32214675
32214677
32214677

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Popular Name: (+)-beta-thujone (+)-beta-thujone

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Vendors

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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) 2.16 6.42 -3.87 0 1 0 17 152.237 1 ↓

Analogs

120294
120294
2046798
2046798

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Popular Name: ANDROSTENEDIONE ANDROSTENEDIONE

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And 15 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) 3.06 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

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Popular Name: beta-Pinene beta-Pinene

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And 12 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) 3.33 2.23 -0.43 0 0 0 0 136.238 0 ↓

Analogs

2508249
2508249
2534432
2534432
3096510
3096510
4277197
4277197
4277198
4277198

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Popular Name: 2-Methylisoborneol 2-Methylisoborneol

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And 1 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) 2.79 4.06 -1.62 1 1 0 20 168.28 0 ↓

Analogs

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Popular Name: Sabinene Sabinene

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And 5 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) 3.10 7.1 -0.69 0 0 0 0 136.238 1 ↓

Analogs

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Popular Name: Tricyclene Tricyclene

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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) 3.40 6.73 -0.49 0 0 0 0 136.238 0 ↓

Parameters Provided:

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