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

Analogs

35499388
35499388

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Popular Name: (2S)-1-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]pentan-2-ol (2S)-1-[(1-methylpyrrol-2-yl)met…

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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) 1.63 1.79 -5.49 1 5 0 41 309.454 9 ↓
Mid Mid (pH 6-8) 1.63 3.74 -37.61 2 5 1 42 310.462 9 ↓
Lo Low (pH 4.5-6) 1.63 4.09 -36.46 2 5 1 42 310.462 9 ↓

Analogs

35499386
35499386

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Popular Name: (2R)-1-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]pentan-2-ol (2R)-1-[(1-methylpyrrol-2-yl)met…

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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) 1.63 2.99 -6 1 5 0 41 309.454 9 ↓
Mid Mid (pH 6-8) 1.63 5.04 -40.45 2 5 1 42 310.462 9 ↓
Lo Low (pH 4.5-6) 1.63 5.29 -35.96 2 5 1 42 310.462 9 ↓

Analogs

35499397
35499397

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Popular Name: (2S)-1-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2S)-1-[(1-methylpyrrol-2-yl)met…

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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) 0.34 3.96 -42.41 2 6 1 51 336.456 10 ↓
Hi High (pH 8-9.5) 0.34 1.23 -8.96 1 6 0 50 335.448 10 ↓
Lo Low (pH 4.5-6) 0.34 3.44 -47.84 2 6 1 51 336.456 10 ↓

Analogs

35499394
35499394

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Popular Name: (2R)-1-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]-3-prop-2-ynoxy-propan-2-ol (2R)-1-[(1-methylpyrrol-2-yl)met…

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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) 0.34 3.07 -42.06 2 6 1 51 336.456 10 ↓
Hi High (pH 8-9.5) 0.34 2.03 -9.34 1 6 0 50 335.448 10 ↓
Lo Low (pH 4.5-6) 0.34 4.3 -44.27 2 6 1 51 336.456 10 ↓

Analogs

35499401
35499401

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-methoxy-3-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2S)-1-methoxy-3-[(1-methylpyrro…

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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 2.46 -39.62 2 6 1 51 312.434 9 ↓
Hi High (pH 8-9.5) 0.18 -0.28 -6.95 1 6 0 50 311.426 9 ↓
Lo Low (pH 4.5-6) 0.18 1.93 -45.69 2 6 1 51 312.434 9 ↓

Analogs

35499399
35499399

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Popular Name: (2R)-1-methoxy-3-[(1-methylpyrrol-2-yl)methyl-(2-morpholinoethyl)amino]propan-2-ol (2R)-1-methoxy-3-[(1-methylpyrro…

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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 1.57 -38.91 2 6 1 51 312.434 9 ↓
Hi High (pH 8-9.5) 0.18 0.52 -7.27 1 6 0 50 311.426 9 ↓
Lo Low (pH 4.5-6) 0.18 2.79 -42.35 2 6 1 51 312.434 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1-methylpyrrol-2-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) 1.40 4.88 -42.03 2 4 1 34 252.382 5 ↓
Hi High (pH 8-9.5) 1.40 3.04 -5.42 1 4 0 29 251.374 5 ↓
Lo Low (pH 4.5-6) 1.40 6.75 -119.79 3 4 2 35 253.39 5 ↓

Parameters Provided:

ring.id = 17905
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 = 17905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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