UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[[3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-prop 7-[[3-[[4-[2-(2,3-dihydro-1H-tet…

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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) 5.08 12.82 -60.48 5 11 -1 168 574.706 15 ↓
Lo Low (pH 4.5-6) 5.08 12.69 -70.91 6 11 0 169 575.714 15 ↓

Analogs

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Popular Name: 3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)-N-(6-nitro 3-[[4-[2-(2,3-dihydro-1H-tetrazo…

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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) 5.11 12.56 -21.59 5 12 0 173 576.702 15 ↓
Lo Low (pH 4.5-6) 5.11 12.42 -42.2 6 12 1 174 577.71 15 ↓

Analogs

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Popular Name: 7-[3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl)-2-propy 7-[3-[[4-[2-(2,3-dihydro-1H-tetr…

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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) 5.72 15.27 -60.14 4 11 -1 165 575.69 16 ↓
Lo Low (pH 4.5-6) 5.72 14.8 -68.03 5 11 0 166 576.698 16 ↓

Analogs

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Popular Name: 3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]-N-[2-(2-hydroxyethylamino)ethyl]-5-(1-h 3-[[4-[2-(2,3-dihydro-1H-tetrazo…

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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) 2.58 5.56 -52.56 8 11 1 164 535.673 13 ↓
Hi High (pH 8-9.5) 2.58 4.23 -16.27 7 11 0 160 534.665 13 ↓
Lo Low (pH 4.5-6) 2.58 5.68 -95.82 9 11 2 165 536.681 13 ↓

Analogs

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Popular Name: (7-ethoxy-7-oxo-heptyl) (7-ethoxy-7-oxo-heptyl)

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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) 6.40 16.67 -17.31 4 11 0 151 604.752 18 ↓
Lo Low (pH 4.5-6) 6.40 15.8 -38.59 5 11 1 152 605.76 18 ↓

Analogs

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Popular Name: octyl octyl

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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) 7.87 16.49 -14.04 4 9 0 125 560.743 16 ↓
Lo Low (pH 4.5-6) 7.87 15.8 -33.06 5 9 1 126 561.751 16 ↓

Parameters Provided:

ring.id = 366096
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 = 366096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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