Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qe17dhgn2c2ddal9eoqua5kup3, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5781659
5781659
5781660
5781660
5781670
5781670
5781671
5781671
5781674
5781674

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-dime…

Find On: PubMed — Wikipedia — Google

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) 0.44 -4.56 -7.88 2 7 0 94 290.312 6 ↓

Analogs

5781670
5781670
5781671
5781671
5781674
5781674
5781676
5781676
5781654
5781654

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-dime…

Find On: PubMed — Wikipedia — Google

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) 0.44 -3.97 -8.6 2 7 0 94 290.312 6 ↓

Analogs

5781674
5781674
5781676
5781676
5781654
5781654
5781656
5781656

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-dime…

Find On: PubMed — Wikipedia — Google

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) 0.44 -4.6 -9.05 2 7 0 94 290.312 6 ↓

Analogs

5781654
5781654
5781656
5781656

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(1,2-dihydroxyethyl)-3,3-dimethyl-2,4,6-trioxabicyclo[3.3.0]oct-8-yl] [7-(1,2-dihydroxyethyl)-3,3-dime…

Find On: PubMed — Wikipedia — Google

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) 0.44 -4.42 -10.14 2 7 0 94 290.312 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3aR,5S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(c (3R)-3-[(3aR,5S,6R,6aR)-6-methox…

Find On: PubMed — Wikipedia — Google

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) 0.48 1.93 -29.13 3 6 1 74 288.364 6 ↓
Hi High (pH 8-9.5) 0.48 1.11 -6.58 2 6 0 69 287.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3aR,5S,6R,6aS)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(c (3R)-3-[(3aR,5S,6R,6aS)-6-methox…

Find On: PubMed — Wikipedia — Google

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) 0.48 1.12 -33.05 3 6 1 74 288.364 6 ↓
Hi High (pH 8-9.5) 0.48 0.16 -6.65 2 6 0 69 287.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3aR,5S,6R,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3- (3R)-3-[(3aR,5S,6R,6aR)-6-benzyl…

Find On: PubMed — Wikipedia — Google

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) 2.08 5.91 -29.9 3 6 1 74 364.462 8 ↓
Hi High (pH 8-9.5) 2.08 4.78 -6.9 2 6 0 69 363.454 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3aR,5S,6R,6aS)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3- (3R)-3-[(3aR,5S,6R,6aS)-6-benzyl…

Find On: PubMed — Wikipedia — Google

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) 2.08 5.12 -33.14 3 6 1 74 364.462 8 ↓
Hi High (pH 8-9.5) 2.08 4.08 -6.92 2 6 0 69 363.454 8 ↓

Analogs

16036728
16036728
16036729
16036729
16036730
16036730
36369559
36369559
36369560
36369560

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-(METHYLSULFONYL)-ALPHA-D-GLUCOFURANOSE 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-…

Find On: PubMed — Wikipedia — Google

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) 0.69 -6.4 -13.1 0 8 0 90 338.378 3 ↓

Analogs

39936
39936
2151218
2151218

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-RIBO-3-HEXOFURANOSE-3-ULOSE MONOHYDRATE 1,2:5,6-DI-O-ISOPROPYLIDENE-ALPH…

Find On: PubMed — Wikipedia — Google

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) 0.13 -7.28 -9.98 2 7 0 87 276.285 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose 3-O-Acetyl-6-O-benzoyl-5-O-methy…

Find On: PubMed — Wikipedia — Google

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) 1.94 6.11 -20.52 0 10 0 124 444.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3aR,5R,6S,6aR)-6-decoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-3- 1-[[(3aR,5R,6S,6aR)-6-decoxy-2,2…

Find On: PubMed — Wikipedia — Google

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) 6.76 10.42 -10.4 2 7 0 78 462.631 13 ↓

Analogs

3881596
3881596
4428800
4428800
4428801
4428801
4428802
4428802
4428803
4428803

Draw Identity 99% 90% 80% 70%

Popular Name: methanesulfonic-acid-[(3aR,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a methanesulfonic-acid-[(3aR,5S,6R…

Find On: PubMed — Wikipedia — Google

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) 0.69 -6.6 -16.74 0 8 0 89 338.378 3 ↓

Analogs

3881599
3881599
3881600
3881600
3956800
3956800
3956801
3956801
3956802
3956802

Draw Identity 99% 90% 80% 70%

Popular Name: Diacetone-D-glucose Diacetone-D-glucose

Find On: PubMed — Wikipedia — Google

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) 1.66 -5.36 -5.33 1 6 0 66 260.286 1 ↓

Analogs

3881599
3881599
3881600
3881600
3956800
3956800
3956801
3956801
3956802
3956802

Draw Identity 99% 90% 80% 70%

Popular Name: Diacetone-D-glucose Diacetone-D-glucose

Find On: PubMed — Wikipedia — Google

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) 1.66 -5.18 -6.65 1 6 0 66 260.286 1 ↓

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

Find On: PubMed — Wikipedia — Google

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) 4.09 -1.9 -7.59 0 7 0 64 422.518 7 ↓

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

Find On: PubMed — Wikipedia — Google

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) 4.09 -2.72 -6.79 0 7 0 64 422.518 7 ↓

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

Find On: PubMed — Wikipedia — Google

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) 4.09 -2.32 -8.33 0 7 0 64 422.518 7 ↓

Analogs

5234403
5234403
5643704
5643704
5643707
5643707
5727164
5727164
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

Find On: PubMed — Wikipedia — Google

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) 4.09 -1.84 -9.96 0 7 0 64 422.518 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,6S,6aR)-5-[(1S)-2-[(E)-[3-(2,3-diphenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-methyl-propy (3aS,5S,6S,6aR)-5-[(1S)-2-[(E)-[…

Find On: PubMed — Wikipedia — Google

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) 5.19 9.31 -58.02 3 9 1 107 574.698 9 ↓
Mid Mid (pH 6-8) 5.19 7.02 -15.27 2 9 0 106 573.69 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 3.82 8.81 -18.59 2 11 0 136 596.677 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 3.82 9.61 -22.08 2 11 0 136 596.677 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 3.82 8.69 -18.98 2 11 0 136 596.677 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 3.82 9.68 -21.96 2 11 0 136 596.677 9 ↓

Analogs

4029513
4029513
4176681
4176681

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5S,6R,6aR)-5-[(4S)-2,2-dime…

Find On: PubMed — Wikipedia — Google

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) 4.91 9.5 -7.19 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5S,6S,6aR)-5-[(4S)-2,2-dime…

Find On: PubMed — Wikipedia — Google

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) 4.91 8.93 -6.7 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5R,6R,6aR)-5-[(4S)-2,2-dime…

Find On: PubMed — Wikipedia — Google

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) 4.91 9.21 -8.7 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5R,6S,6aR)-5-[(4S)-2,2-dime…

Find On: PubMed — Wikipedia — Google

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) 4.91 9.73 -10.79 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(3aR,5R,6R,6aR)-6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-benzoyl [[(3aR,5R,6R,6aR)-6-benzoyloxy-2…

Find On: PubMed — Wikipedia — Google

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) 6.08 15.31 -20.34 0 9 0 107 518.518 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(3aR,5R,6S,6aR)-6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-benzoyl [[(3aR,5R,6S,6aR)-6-benzoyloxy-2…

Find On: PubMed — Wikipedia — Google

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) 6.08 15 -22.68 0 9 0 107 518.518 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(3aR,5R,6S,6aS)-6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-benzoyl [[(3aR,5R,6S,6aS)-6-benzoyloxy-2…

Find On: PubMed — Wikipedia — Google

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) 6.08 15.31 -18.94 0 9 0 107 518.518 10 ↓

Analogs

39936
39936
134315
134315

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5R,6S,6aR)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (3aR,5R,6S,6aR)-5-(2-hydroxyethy…

Find On: PubMed — Wikipedia — Google

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) 0.69 -2.68 -6.74 2 5 0 68 204.222 2 ↓

Analogs

4530789
4530789
4530790
4530790
4530791
4530791

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5R,6R,6aS)-5-[(1R)-2-azido-1-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]di (3aR,5R,6R,6aS)-5-[(1R)-2-azido-…

Find On: PubMed — Wikipedia — Google

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) 1.10 -6.48 -8.81 2 8 0 118 245.235 3 ↓

Analogs

38600336
38600336

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,5S,6S,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5- [(3aS,5S,6S,6aR)-6-hydroxy-3a-(h…

Find On: PubMed — Wikipedia — Google

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) 1.83 -1.38 -19.3 2 8 0 112 374.411 5 ↓

Analogs

38600332
38600332

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,5S,6R,6aR)-6-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5- [(3aS,5S,6R,6aR)-6-hydroxy-3a-(h…

Find On: PubMed — Wikipedia — Google

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) 1.83 -0.06 -22.32 2 8 0 112 374.411 5 ↓

Parameters Provided:

ring.id = 3011
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3011&filter.purchasability=annotated

Embed Link to Results