UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-benzothiazolyl)-3,5-diphenyltetrazoliumbromide 2-(2-benzothiazolyl)-3,5-dipheny…

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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) 5.06 12.81 -11.17 1 5 0 51 357.442 3 ↓

Analogs

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Popular Name: 2,3,5-tris(p-tolyl)tetrazoliumchloride 2,3,5-tris(p-tolyl)tetrazoliumch…

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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) 5.42 13.43 -7.42 1 4 0 39 342.446 3 ↓

Analogs

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Popular Name: 2,3-di(p-tolyl)-5-phenyltetrazoliumchloride 2,3-di(p-tolyl)-5-phenyltetrazol…

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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) 4.98 12.75 -7.66 1 4 0 39 328.419 3 ↓

Analogs

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Popular Name: 2,3-diphenyl-5-(p-tolyl)tetrazoliumchloride 2,3-diphenyl-5-(p-tolyl)tetrazol…

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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) 4.53 12.08 -7.56 1 4 0 39 314.392 3 ↓

Analogs

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Popular Name: 2,3-diphenyl-5-(4-methoxyphenyl)tetrazoliumchloride 2,3-diphenyl-5-(4-methoxyphenyl)…

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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) 4.13 10.71 -8.13 1 5 0 48 330.391 4 ↓

Analogs

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Popular Name: [(1R)-indan-1-yl] [(1R)-indan-1-yl]

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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) 1.99 10.27 -60.29 2 7 -1 99 349.37 5 ↓
Mid Mid (pH 6-8) 2.36 11.26 -18.85 2 7 0 93 350.378 5 ↓

Analogs

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Popular Name: [(1S)-indan-1-yl] [(1S)-indan-1-yl]

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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) 1.99 10.25 -60.83 2 7 -1 99 349.37 5 ↓
Mid Mid (pH 6-8) 2.36 11.23 -18.35 2 7 0 93 350.378 5 ↓

Analogs

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Popular Name: 4-ethyl-3-sulfanyl-2H-tetrazole 4-ethyl-3-sulfanyl-2H-tetrazole

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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) 0.09 3.6 -48.88 1 4 -1 39 131.184 1 ↓
Lo Low (pH 4.5-6) 0.09 3.06 -7.98 1 4 0 39 132.192 1 ↓

Analogs

60220946
60220946

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Popular Name: (2S)-4,4-dimethyl-3-oxo-N-phenyl-2-(1-phenyl-2H-tetrazol-3-yl)pentanamide (2S)-4,4-dimethyl-3-oxo-N-phenyl…

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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) 2.35 10.11 -20.41 2 7 0 85 365.437 6 ↓
Hi High (pH 8-9.5) 3.11 12.1 -56.38 2 7 -1 91 364.429 5 ↓

Analogs

60220943
60220943

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Popular Name: (2R)-4,4-dimethyl-3-oxo-N-phenyl-2-(1-phenyl-2H-tetrazol-3-yl)pentanamide (2R)-4,4-dimethyl-3-oxo-N-phenyl…

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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) 2.35 10.4 -17.82 2 7 0 85 365.437 6 ↓

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:

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filter.purchasability = annotated
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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 = 76274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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