UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 2.87 9.8 -22.6 1 6 0 73 369.446 5 ↓

Analogs

44827031
44827031

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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) 2.79 9.7 -26.08 1 7 0 90 397.456 6 ↓

Analogs

44827028
44827028

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Popular Name: ethyl ethyl

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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) 3.16 10.57 -25.46 1 7 0 90 411.483 7 ↓

Analogs

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Popular Name: dimethyl 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) 2.72 9.71 -22.65 1 8 0 100 413.455 7 ↓

Analogs

44827040
44827040
44827043
44827043
44827060
44827060
44827066
44827066

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Popular Name: O4-ethyl O4-ethyl

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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 10.64 -22.56 1 8 0 100 427.482 8 ↓

Analogs

44827045
44827045
44827054
44827054
44827057
44827057
44827063
44827063
44827069
44827069

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Popular Name: O4-butyl O4-butyl

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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) 4.16 12.22 -22.27 1 8 0 100 455.536 10 ↓

Analogs

44827045
44827045
44827048
44827048
44827051
44827051
44827060
44827060
44827063
44827063

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Popular Name: O2-ethyl O2-ethyl

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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 10.64 -22.24 1 8 0 100 427.482 8 ↓

Analogs

44827054
44827054
44827057
44827057
44827060
44827060
44827063
44827063
44827066
44827066

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Popular Name: O4-butyl O4-butyl

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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 13.15 -21.76 1 8 0 100 469.563 11 ↓

Analogs

44827051
44827051
44827054
44827054
44827057
44827057
44827060
44827060
44827066
44827066

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Popular Name: O2-tert-butyl O2-tert-butyl

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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) 3.91 11.8 -16.13 1 8 0 100 455.536 8 ↓

Analogs

44827054
44827054
44827057
44827057
44827060
44827060
44827066
44827066
44827043
44827043

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Popular Name: O2-tert-butyl O2-tert-butyl

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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) 4.28 12.73 -15.36 1 8 0 100 469.563 9 ↓

Analogs

44827057
44827057
44827063
44827063
44827069
44827069
44827040
44827040
44827045
44827045

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Popular Name: O4-butyl O4-butyl

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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) 5.34 14.31 -15.02 1 8 0 100 497.617 11 ↓

Analogs

44827063
44827063
44827069
44827069
44827040
44827040
44827045
44827045

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Popular Name: O4-butyl O4-butyl

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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 13.92 -15.58 1 8 0 100 483.59 11 ↓

Analogs

44827063
44827063
44827066
44827066
44827069
44827069
44827043
44827043
44827045
44827045

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Popular Name: O2-allyl O2-allyl

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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) 3.74 12.18 -15.75 1 8 0 100 453.52 10 ↓

Analogs

44827069
44827069
44827040
44827040
44827045
44827045

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Popular Name: O2-allyl O2-allyl

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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) 4.80 13.77 -15.41 1 8 0 100 481.574 12 ↓

Analogs

44827069
44827069
44827043
44827043
44827060
44827060

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Popular Name: O2-(2-methoxyethyl) O2-(2-methoxyethyl)

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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) 2.52 9.91 -18.01 1 9 0 109 457.508 10 ↓

Analogs

44827040
44827040
44827045
44827045

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Popular Name: O4-butyl O4-butyl

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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) 3.96 12.42 -16.83 1 9 0 109 499.589 13 ↓

Analogs

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Popular Name: (4E)-5-methyl-4-[[(4-methyl-2-thienyl)amino]methylene]-2-phenyl-pyrazol-3-one (4E)-5-methyl-4-[[(4-methyl-2-th…

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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) 2.89 8.52 -15.04 1 4 0 47 297.383 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.96 10.23 -15.74 0 6 0 71 383.473 6 ↓
Ref Reference (pH 7) 3.77 8.53 -14.8 1 6 0 77 383.473 6 ↓

Parameters Provided:

ring.id = 10799
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 = 10799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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