UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,3R,4R,5S)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4R,5S)-3-(fluoromethyl)-2…

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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) -1.36 -3.7 -35.13 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -4.15 -10.23 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4R,5R)-3-(fluoromethyl)-2…

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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) -1.36 -4.67 -38.24 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -5.12 -12.38 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4S,5S)-3-(fluoromethyl)-2…

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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) -1.36 -3.09 -35.9 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -3.6 -12.68 4 8 0 113 312.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(fluoromethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrah (2S,3R,4S,5R)-3-(fluoromethyl)-2…

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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) -1.36 -3.27 -40.45 5 8 1 114 313.309 4 ↓
Hi High (pH 8-9.5) -1.36 -3.75 -13.5 4 8 0 113 312.301 4 ↓

Analogs

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Popular Name: (2S,3R,4R,5S)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4R,5S)-3-(azidomethyl)-2-…

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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) -0.96 -7.11 -35.75 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.56 -13.13 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4R,5R)-3-(azidomethyl)-2-…

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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) -0.96 -8.09 -38.64 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -8.54 -14.93 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4S,5S)-3-(azidomethyl)-2-…

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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) -0.96 -6.61 -37.2 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.11 -15.66 4 11 0 162 335.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(azidomethyl)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]tetrahy (2S,3R,4S,5R)-3-(azidomethyl)-2-…

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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) -0.96 -6.71 -40.2 5 11 1 164 336.332 5 ↓
Hi High (pH 8-9.5) -0.96 -7.2 -15.38 4 11 0 162 335.324 5 ↓

Analogs

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Popular Name: (2S,3R,4R,5S)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4R,5S)-3-(azidomethyl)-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) -1.04 -8.45 -55.04 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -9.22 -14.8 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4R,5R)-3-(azidomethyl)-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) -1.04 -9.41 -58.98 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -10.17 -16.68 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4S,5S)-3-(azidomethyl)-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) -1.04 -7.98 -57.91 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -8.75 -17.42 4 11 0 171 322.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-3-(azidomethyl)-5-(7-hydroxyimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofur (2S,3R,4S,5R)-3-(azidomethyl)-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) -1.04 -8.09 -60.71 3 11 -1 173 321.273 4 ↓
Mid Mid (pH 6-8) -1.04 -8.85 -17.44 4 11 0 171 322.281 4 ↓

Analogs

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Popular Name: (2S,3R,4R,5S)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4R,5S)-5-(7-aminoimidazo[…

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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) -2.67 -7.22 -35.99 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.68 -14.47 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4R,5R)-5-(7-aminoimidazo[…

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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) -2.67 -8.2 -38.72 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -8.66 -16.25 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5S)-5-(7-aminoimidazo[…

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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) -2.67 -7.2 -37.5 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.71 -17.13 6 9 0 147 296.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2,3-bis(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5R)-5-(7-aminoimidazo[…

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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) -2.67 -6.78 -40.73 7 9 1 148 297.291 3 ↓
Hi High (pH 8-9.5) -2.67 -7.27 -14.5 6 9 0 147 296.283 3 ↓

Analogs

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Popular Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2 (2S)-2-amino-4-[[(2S,3S,4R,5R)-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) -3.07 -0.12 -74.34 8 10 1 175 384.438 7 ↓
Hi High (pH 8-9.5) -3.07 -0.85 -54.96 6 10 -1 173 382.422 7 ↓
Mid Mid (pH 6-8) -3.07 -0.57 -54.96 7 10 0 174 383.43 7 ↓

Analogs

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Popular Name: (2R)-2-amino-4-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2 (2R)-2-amino-4-[[(2S,3S,4R,5R)-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) -3.07 -0.1 -75 8 10 1 175 384.438 7 ↓
Hi High (pH 8-9.5) -3.07 -0.91 -58.32 6 10 -1 173 382.422 7 ↓
Mid Mid (pH 6-8) -3.07 -0.56 -54.75 7 10 0 174 383.43 7 ↓

Analogs

26288475
26288475
26288480
26288480

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Popular Name: (2S,3R,5S)-2-(hydroxymethyl)-5-(7-nitroimidazo[4,5-b]pyridin-3-yl)tetrahydrofuran-3-ol (2S,3R,5S)-2-(hydroxymethyl)-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) -0.71 -0.02 -17.34 2 9 0 126 280.24 3 ↓

Analogs

26288475
26288475
26288480
26288480

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Popular Name: (2S,3R,5R)-2-(hydroxymethyl)-5-(7-nitroimidazo[4,5-b]pyridin-3-yl)tetrahydrofuran-3-ol (2S,3R,5R)-2-(hydroxymethyl)-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) -0.71 0.03 -17.77 2 9 0 126 280.24 3 ↓

Parameters Provided:

ring.id = 38734
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 = 38734 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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