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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 1.26 6.83 -16.6 1 6 0 72 328.368 3 ↓
Lo Low (pH 4.5-6) 1.26 9.18 -46.73 2 6 1 73 329.376 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.26 6.74 -17.04 1 6 0 72 328.368 3 ↓
Lo Low (pH 4.5-6) 1.26 9.08 -46.63 2 6 1 73 329.376 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.26 6.79 -14.81 1 6 0 72 328.368 3 ↓
Lo Low (pH 4.5-6) 1.26 9.14 -54.39 2 6 1 73 329.376 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.26 7.01 -19.29 1 6 0 72 328.368 3 ↓
Lo Low (pH 4.5-6) 1.26 9.18 -53.37 2 6 1 73 329.376 3 ↓

Analogs

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Popular Name: (3S,5R)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-(6-bromo-1,3,4,5-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) 1.88 6.8 -11.08 1 4 0 45 349.228 1 ↓
Lo Low (pH 4.5-6) 1.88 9.16 -46.36 2 4 1 47 350.236 1 ↓

Analogs

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Popular Name: (3S,5S)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-(6-bromo-1,3,4,5-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) 1.88 6.72 -11.42 1 4 0 45 349.228 1 ↓
Lo Low (pH 4.5-6) 1.88 9.07 -46.3 2 4 1 47 350.236 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-(6-bromo-1,3,4,5-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) 1.88 6.76 -10.48 1 4 0 45 349.228 1 ↓
Lo Low (pH 4.5-6) 1.88 9.11 -48.72 2 4 1 47 350.236 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-(6-bromo-1,3,4,5-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) 1.88 6.98 -12.31 1 4 0 45 349.228 1 ↓
Lo Low (pH 4.5-6) 1.88 9.16 -48.06 2 4 1 47 350.236 1 ↓

Analogs

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Popular Name: (3S,5R)-3-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-(8-chloro-1,3,4,5-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) 1.77 6.69 -12.45 1 4 0 45 304.777 1 ↓
Lo Low (pH 4.5-6) 1.77 9.05 -44.56 2 4 1 47 305.785 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-(8-chloro-1,3,4,5-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) 1.77 6.61 -12.81 1 4 0 45 304.777 1 ↓
Lo Low (pH 4.5-6) 1.77 8.96 -44.48 2 4 1 47 305.785 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-(8-chloro-1,3,4,5-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) 1.77 6.65 -11.13 1 4 0 45 304.777 1 ↓
Lo Low (pH 4.5-6) 1.77 9 -50.1 2 4 1 47 305.785 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-(8-chloro-1,3,4,5-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) 1.77 6.87 -14.43 1 4 0 45 304.777 1 ↓
Lo Low (pH 4.5-6) 1.77 9.05 -49.23 2 4 1 47 305.785 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)tetrahydrofuran-2-one (3R)-3-(6-bromo-1,3,4,5-tetrahyd…

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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) 1.76 6.19 -12.62 1 4 0 45 335.201 1 ↓
Lo Low (pH 4.5-6) 1.76 8.36 -47.75 2 4 1 47 336.209 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)tetrahydrofuran-2-one (3S)-3-(6-bromo-1,3,4,5-tetrahyd…

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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) 1.76 6.17 -10.33 1 4 0 45 335.201 1 ↓
Lo Low (pH 4.5-6) 1.76 8.36 -45.72 2 4 1 47 336.209 1 ↓

Parameters Provided:

ring.id = 408823
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 = 408823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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