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

Analogs

13127576
13127576
9240487
9240487

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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) 1.44 8.14 -65.47 2 9 0 120 454.527 10 ↓
Hi High (pH 8-9.5) 1.44 5.93 -60.08 1 9 -1 119 453.519 10 ↓
Mid Mid (pH 6-8) 0.35 6.7 -42.89 1 6 1 56 298.37 2 ↓

Analogs

9240487
9240487

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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) 1.44 8.75 -68.86 2 9 0 120 454.527 10 ↓
Hi High (pH 8-9.5) 1.44 6.62 -55.11 1 9 -1 119 453.519 10 ↓
Mid Mid (pH 6-8) 0.35 6.98 -37.49 1 6 1 56 298.37 2 ↓

Analogs

41534181
41534181

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Popular Name: (2R)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2R)-1-[3-(dimethylamino)propyl]…

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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 8.2 -81.21 2 7 0 94 396.491 7 ↓
Lo Low (pH 4.5-6) 1.11 7.44 -56.28 3 7 1 91 397.499 7 ↓

Analogs

41534177
41534177

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Popular Name: (2S)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2S)-1-[3-(dimethylamino)propyl]…

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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 7.71 -71.13 2 7 0 94 396.491 7 ↓
Lo Low (pH 4.5-6) 1.11 6.95 -46.61 3 7 1 91 397.499 7 ↓

Analogs

41535518
41535518
41543535
41543535
41543538
41543538
41543756
41543756
41543759
41543759

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Popular Name: (2R)-1-(2-dimethylaminoethyl)-4-hydroxy-2-(3-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2R)-1-(2-dimethylaminoethyl)-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) 0.83 7.43 -76.85 2 7 0 94 382.464 6 ↓
Lo Low (pH 4.5-6) 0.83 6.66 -56.4 3 7 1 91 383.472 6 ↓

Analogs

41543535
41543535
41543538
41543538
41543756
41543756
41543759
41543759
41535514
41535514

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Popular Name: (2S)-1-(2-dimethylaminoethyl)-4-hydroxy-2-(3-pyridyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2S)-1-(2-dimethylaminoethyl)-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) 0.83 6.9 -67.81 2 7 0 94 382.464 6 ↓
Lo Low (pH 4.5-6) 0.83 6.14 -48.47 3 7 1 91 383.472 6 ↓

Parameters Provided:

ring.id = 114780
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 = 114780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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