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

Analogs

42803393
42803393

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Popular Name: methyl methyl

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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) 4.27 5.33 -11.35 4 6 0 107 518.735 8 ↓

Analogs

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Popular Name: (E,6R)-6-[hydroxy(tetramethyl)BLAHyl]hept-3-en-2-one (E,6R)-6-[hydroxy(tetramethyl)BL…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-8-O Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other Other 5900 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 5900 0.24 Functional ≤ 10μM

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) 6.12 12.39 -7.11 1 2 0 37 426.685 4 ↓

Analogs

4654608
4654608

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Popular Name: [(1R)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHol [(1R)-1,5-dimethylhex-4-enyl]-te…

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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) 8.21 13.9 -1.42 1 1 0 20 426.729 4 ↓

Analogs

4654608
4654608

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Popular Name: [(1R)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHol [(1R)-1,5-dimethylhex-4-enyl]-te…

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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) 8.21 13.95 -1.57 1 1 0 20 426.729 4 ↓

Analogs

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Popular Name: 3beta-Cycloartane-3,25-diol 3beta-Cycloartane-3,25-diol

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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) 7.01 10.75 -3.05 2 2 0 40 444.744 5 ↓

Analogs

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Popular Name: 3beta-Cycloartane-3,25-diol 3beta-Cycloartane-3,25-diol

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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) 7.01 10.67 -2.96 2 2 0 40 444.744 5 ↓

Analogs

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Popular Name: 3beta-Cycloartane-3,25-diol 3beta-Cycloartane-3,25-diol

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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) 7.01 10.76 -3.03 2 2 0 40 444.744 5 ↓

Analogs

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Popular Name: 3beta-Cycloartane-3,25-diol 3beta-Cycloartane-3,25-diol

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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) 7.01 10.8 -2.96 2 2 0 40 444.744 5 ↓

Analogs

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Popular Name: [(E,1S)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHol [(E,1S)-5-hydroxy-1,5-dimethyl-h…

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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) 6.75 10.89 -2.89 2 2 0 40 442.728 4 ↓

Analogs

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Popular Name: [(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHol [(E,1R)-5-hydroxy-1,5-dimethyl-h…

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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) 6.75 10.87 -3.01 2 2 0 40 442.728 4 ↓

Analogs

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Popular Name: [(E,1S)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHol [(E,1S)-5-hydroxy-1,5-dimethyl-h…

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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) 6.75 10.79 -3.18 2 2 0 40 442.728 4 ↓

Analogs

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Popular Name: [(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHol [(E,1R)-5-hydroxy-1,5-dimethyl-h…

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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) 6.75 10.82 -2.87 2 2 0 40 442.728 4 ↓

Analogs

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Popular Name: [[(E,1S)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHyl] [[(E,1S)-5-hydroxy-1,5-dimethyl-…

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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) 7.46 14.88 -6.34 1 3 0 47 484.765 6 ↓

Analogs

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Popular Name: [[(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHyl] [[(E,1R)-5-hydroxy-1,5-dimethyl-…

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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) 7.46 14.84 -6.01 1 3 0 47 484.765 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(E,1S)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHyl] [[(E,1S)-5-hydroxy-1,5-dimethyl-…

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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) 7.46 14.99 -6.12 1 3 0 47 484.765 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-tetramethyl-BLAHyl] [[(E,1R)-5-hydroxy-1,5-dimethyl-…

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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) 7.46 14.94 -6.31 1 3 0 47 484.765 6 ↓

Analogs

36532556
36532556
36532558
36532558

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Popular Name: Cycloartenol Cycloartenol

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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) 8.21 13.92 -1.56 1 1 0 20 426.729 4 ↓

Analogs

36532556
36532556
36532558
36532558

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Popular Name: Cycloartenol Cycloartenol

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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) 8.21 13.91 -1.56 1 1 0 20 426.729 4 ↓

Analogs

36532556
36532556
36532558
36532558

Draw Identity 99% 90% 80% 70%

Popular Name: Cycloartenol Cycloartenol

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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) 8.21 13.82 -1.35 1 1 0 20 426.729 4 ↓

Analogs

36532556
36532556
36532558
36532558

Draw Identity 99% 90% 80% 70%

Popular Name: Cycloartenol Cycloartenol

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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) 8.21 13.89 -1.64 1 1 0 20 426.729 4 ↓

Analogs

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Popular Name: [[(1S)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHyl] [[(1S)-1,5-dimethylhex-4-enyl]-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) 8.66 17.91 -4.59 0 2 0 26 468.766 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(1R)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHyl] [[(1R)-1,5-dimethylhex-4-enyl]-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) 8.66 17.95 -4.6 0 2 0 26 468.766 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(1S)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHyl] [[(1S)-1,5-dimethylhex-4-enyl]-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) 8.66 17.9 -4.5 0 2 0 26 468.766 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [[(1R)-1,5-dimethylhex-4-enyl]-tetramethyl-BLAHyl] [[(1R)-1,5-dimethylhex-4-enyl]-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) 8.66 18.03 -4.55 0 2 0 26 468.766 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1,5-dimethylhex-5-enyl]-tetramethyl-BLAHol [(1S)-1,5-dimethylhex-5-enyl]-te…

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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) 8.02 13.97 -1.52 1 1 0 20 426.729 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1,5-dimethylhex-5-enyl]-tetramethyl-BLAHol [(1R)-1,5-dimethylhex-5-enyl]-te…

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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) 8.02 13.88 -1.55 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: [(1S)-1,5-dimethylhex-5-enyl]-tetramethyl-BLAHol [(1S)-1,5-dimethylhex-5-enyl]-te…

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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) 8.02 13.97 -1.43 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: [(1R)-1,5-dimethylhex-5-enyl]-tetramethyl-BLAHol [(1R)-1,5-dimethylhex-5-enyl]-te…

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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) 8.02 14.01 -1.45 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: 3-Epicycloeucalenol 3-Epicycloeucalenol

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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) 7.62 13.51 -1.4 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: 3-Epicycloeucalenol 3-Epicycloeucalenol

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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) 7.62 13.9 -1.34 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: 3-Epicycloeucalenol 3-Epicycloeucalenol

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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) 7.62 13.98 -1.48 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: 3-Epicycloeucalenol 3-Epicycloeucalenol

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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) 7.62 13.83 -1.63 1 1 0 20 426.729 5 ↓

Analogs

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Popular Name: [[(1S)-1,5-dimethyl-4-methylene-hexyl]-trimethyl-BLAHyl] [[(1S)-1,5-dimethyl-4-methylene-…

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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) 8.28 17.71 -4.5 0 2 0 26 468.766 7 ↓

Analogs

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Popular Name: [[(1S)-1,5-dimethyl-4-methylene-hexyl]-trimethyl-BLAHyl] [[(1S)-1,5-dimethyl-4-methylene-…

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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) 8.28 18.05 -4.41 0 2 0 26 468.766 7 ↓

Analogs

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Popular Name: [[(1S)-1,5-dimethyl-4-methylene-hexyl]-trimethyl-BLAHyl] [[(1S)-1,5-dimethyl-4-methylene-…

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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) 8.28 18.04 -4.47 0 2 0 26 468.766 7 ↓

Analogs

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Popular Name: [[(1S)-1,5-dimethyl-4-methylene-hexyl]-trimethyl-BLAHyl] [[(1S)-1,5-dimethyl-4-methylene-…

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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) 8.28 18 -4.42 0 2 0 26 468.766 7 ↓

Analogs

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Popular Name: N-pentamethyl-[(1R)-1-methylaminoethyl]BLAHamine N-pentamethyl-[(1R)-1-methylamin…

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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 11.54 -84.26 4 2 2 33 388.684 3 ↓

Analogs

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Popular Name: N-pentamethyl-[(1R)-1-methylaminoethyl]BLAHamine N-pentamethyl-[(1R)-1-methylamin…

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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 11.97 -94.44 4 2 2 33 388.684 3 ↓

Analogs

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Popular Name: [(1R)-1-dimethylaminoethyl]-N,N-hexamethyl-BLAHamine [(1R)-1-dimethylaminoethyl]-N,N-…

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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) 6.06 14.73 -78.99 2 2 2 9 416.738 3 ↓

Analogs

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Popular Name: [(1R)-1-dimethylaminoethyl]-N,N-hexamethyl-BLAHamine [(1R)-1-dimethylaminoethyl]-N,N-…

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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) 6.06 15.26 -93.07 2 2 2 9 416.738 3 ↓

Analogs

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Popular Name: [(1S,4S)-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-tetramethyl-BLAHol [(1S,4S)-4-hydroperoxy-1,5-dimet…

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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) 7.17 9.99 -3.72 2 3 0 50 458.727 6 ↓

Analogs

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Popular Name: [(1R,3S)-3-hydroxy-1,5-dimethyl-4-methylene-hexyl]-tetramethyl-BLAHdiol [(1R,3S)-3-hydroxy-1,5-dimethyl-…

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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) 6.20 8.58 -3.66 3 3 0 61 472.754 5 ↓

Parameters Provided:

ring.id = 8535
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 = 8535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8535&filter.purchasability=annotated

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