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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2557992
2557992
4282295
4282295

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R,6S)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-trio (2S,3S,4R,5R,6S)-2-[(5-bromo-6-c…

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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) 1.21 -3.74 -11.16 5 7 0 115 408.632 3 ↓

Analogs

2517167
2517167
4521284
4521284

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5S,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol (2R,3R,4R,5S,6R)-2-[(5-bromo-1H-…

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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) 0.61 -3.4 -13.98 5 7 0 115 374.187 3 ↓

Analogs

2517167
2517167
4521284
4521284

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol (2R,3S,4R,5R,6R)-2-[(5-bromo-1H-…

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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) 0.61 -2.96 -11.51 5 7 0 115 374.187 3 ↓

Analogs

15020147
15020147

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Popular Name: N-[(2S,3S,4S,5R,6S)-2-[(6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3 N-[(2S,3S,4S,5R,6S)-2-[(6-chloro…

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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) 0.04 -3.39 -13.27 5 8 0 124 370.789 4 ↓

Analogs

2583753
2583753
2557992
2557992

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-trio (2R,3S,4R,5S,6R)-2-[(5-bromo-6-c…

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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) 1.21 -3.49 -12.58 5 7 0 115 408.632 3 ↓

Analogs

15020053
15020053

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6S)-2-[(5-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol (2R,3S,4R,5R,6S)-2-[(5-chloro-1H…

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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) 0.48 -4.4 -9.24 5 7 0 115 329.736 3 ↓

Analogs

4097614
4097614
4282173
4282173
4556549
4556549
4556550
4556550
4556551
4556551

Draw Identity 99% 90% 80% 70%

Popular Name: Indoxyl¦Â-D-galactopyranoside Indoxyl¦Â-D-galactopyranoside

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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) -0.18 -4.33 -11.57 5 7 0 115 295.291 3 ↓

Analogs

22053027
22053027
22053031
22053031
22053036
22053036
22053040
22053040
43505200
43505200

Draw Identity 99% 90% 80% 70%

Popular Name: X-Galactosaminide X-Galactosaminide

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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) 0.77 -1.73 -24.09 5 8 0 124 449.685 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,4R,5R,6R)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]meth [(2S,3S,4R,5R,6R)-6-[(5-bromo-4-…

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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) -1.11 -3.08 -52.6 4 10 -1 161 487.688 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,4R,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]meth [(2S,3S,4R,5R,6S)-6-[(5-bromo-4-…

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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) -1.11 -3.26 -49.57 4 10 -1 161 487.688 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3S,4R,5S,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]meth [(2S,3S,4R,5S,6S)-6-[(5-bromo-4-…

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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) -1.11 -3.97 -47.95 4 10 -1 161 487.688 5 ↓

Parameters Provided:

ring.id = 94187
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 = 94187 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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