UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-1-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(2H-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) 0.79 5.02 -36.72 0 6 -1 75 244.278 2 ↓
Lo Low (pH 4.5-6) 0.79 5.02 -12.19 1 6 0 76 245.286 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(2H-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) 0.79 5.18 -39.95 0 6 -1 75 244.278 2 ↓
Lo Low (pH 4.5-6) 0.79 5.18 -14.31 1 6 0 76 245.286 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2H-tetrazol-5-yl)ethy…

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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) 0.57 4.5 -41.03 0 6 -1 75 230.251 2 ↓
Lo Low (pH 4.5-6) 0.57 4.66 -17.69 1 6 0 76 231.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2H-tetrazol-5-yl)ethy…

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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) 0.57 4.51 -39.93 0 6 -1 75 230.251 2 ↓
Lo Low (pH 4.5-6) 0.57 4.66 -17.15 1 6 0 76 231.259 2 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-1-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-(2H-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) 1.68 5.93 -36.59 0 6 -1 75 272.332 2 ↓
Lo Low (pH 4.5-6) 1.68 5.94 -11.77 1 6 0 76 273.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-(2H-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) 1.68 6.11 -39.09 0 6 -1 75 272.332 2 ↓
Lo Low (pH 4.5-6) 1.68 6.11 -13.6 1 6 0 76 273.34 2 ↓

Analogs

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Popular Name: 6,6-dimethyl-1-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(2H-tetra…

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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) 1.46 5.43 -40.83 0 6 -1 75 258.305 2 ↓
Lo Low (pH 4.5-6) 1.46 5.59 -17.17 1 6 0 76 259.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(2H-tetra…

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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) 1.46 5.44 -39.09 0 6 -1 75 258.305 2 ↓
Lo Low (pH 4.5-6) 1.46 5.59 -16.5 1 6 0 76 259.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(1H-tetrazol-5-ylmethyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(1H-tetrazol-5-ylmeth…

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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) 0.43 4.7 -39.76 0 6 -1 75 230.251 2 ↓
Lo Low (pH 4.5-6) 0.43 4.7 -14.21 1 6 0 76 231.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-tetrazol-5-ylmethyl)-6,7-dihydro-5H-indol-4-one 1-(1H-tetrazol-5-ylmethyl)-6,7-d…

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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) 0.21 4.19 -37.94 0 6 -1 75 216.224 2 ↓
Lo Low (pH 4.5-6) 0.21 4.19 -14.74 1 6 0 76 217.232 2 ↓

Analogs

2582293
2582293
2190702
2190702

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Popular Name: 2,6,6-trimethyl-1-(1H-tetrazol-5-ylmethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(1H-tetrazol-5…

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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) 1.31 5.63 -39.83 0 6 -1 75 258.305 2 ↓
Lo Low (pH 4.5-6) 1.31 5.63 -13.6 1 6 0 76 259.313 2 ↓

Analogs

1719180
1719180

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Popular Name: 6,6-dimethyl-1-(1H-tetrazol-5-ylmethyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(1H-tetrazol-5-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) 1.09 5.11 -37.39 0 6 -1 75 244.278 2 ↓
Lo Low (pH 4.5-6) 1.09 5.11 -14.09 1 6 0 76 245.286 2 ↓

Parameters Provided:

ring.id = 571580
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 = 571580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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