UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38738009
38738009

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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) 2.57 7.99 -14.27 3 7 0 96 380.448 8 ↓

Analogs

38738008
38738008

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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) 2.57 7.92 -16.1 3 7 0 96 380.448 8 ↓

Analogs

58228620
58228620
9882341
9882341
9914265
9914265
5218235
5218235
22504948
22504948

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Popular Name: N-[2-(2H-indol-3-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide N-[2-(2H-indol-3-yl)ethyl]-2-pen…

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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) 4.68 10.06 -15.3 2 4 0 58 367.518 9 ↓

Analogs

3452422
3452422

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Popular Name: N-[2-(2H-indol-3-yl)ethyl]-2,6-dimethoxy-pyridine-3-carboxamide N-[2-(2H-indol-3-yl)ethyl]-2,6-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) 2.59 4.2 -16.37 2 6 0 76 325.368 6 ↓

Analogs

3452422
3452422

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Popular Name: N-[(1S)-2-amino-1-(2H-indol-3-ylmethyl)-2-oxo-ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[(1S)-2-amino-1-(2H-indol-3-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) 2.40 3.98 -23.15 4 7 0 110 406.364 8 ↓

Analogs

27711642
27711642
9882341
9882341
13447019
13447019

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Popular Name: N-[(1S)-2-amino-1-(2H-indol-3-ylmethyl)-2-oxo-ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide N-[(1S)-2-amino-1-(2H-indol-3-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) 2.39 4.92 -20.5 4 6 0 101 368.462 7 ↓

Analogs

28821504
28821504
26295791
26295791

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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) 2.96 8.9 -17.11 2 6 0 84 383.473 8 ↓

Analogs

28821504
28821504
26295791
26295791

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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) 2.96 8.84 -19.75 2 6 0 84 383.473 8 ↓

Analogs

12984630
12984630

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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) 2.97 7.9 -23.2 2 7 0 93 421.375 9 ↓

Analogs

12984630
12984630

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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) 2.97 7.96 -20 2 7 0 93 421.375 9 ↓

Parameters Provided:

ring.id = 53083
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 = 53083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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