UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22583620
22583620

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Popular Name: N-benzyl-N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-morpholino-ethanamine N-benzyl-N-[[1-[(2-fluorophenyl)…

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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) 3.95 10.94 -6.08 0 4 0 21 407.533 9 ↓
Mid Mid (pH 6-8) 3.95 11.66 -42.74 1 4 1 22 408.541 9 ↓
Lo Low (pH 4.5-6) 3.95 13.21 -42.26 1 4 1 22 408.541 9 ↓

Analogs

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2-morpholino-ethanamin N-[[1-[(2-fluorophenyl)methyl]py…

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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) 4.01 10.13 -8.82 0 5 0 30 437.559 10 ↓
Mid Mid (pH 6-8) 4.01 11.24 -51.67 1 5 1 31 438.567 10 ↓
Lo Low (pH 4.5-6) 4.01 12.24 -49.86 1 5 1 31 438.567 10 ↓

Analogs

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholino-ethanamin N-[[1-[(2-fluorophenyl)methyl]py…

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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) 3.98 10.13 -9.67 0 5 0 30 437.559 10 ↓
Mid Mid (pH 6-8) 3.98 11.24 -48.95 1 5 1 31 438.567 10 ↓
Lo Low (pH 4.5-6) 3.98 12.24 -50.11 1 5 1 31 438.567 10 ↓

Analogs

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Popular Name: N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholino-N-(p-tolylmethyl)ethanamine N-[[1-[(3-methoxyphenyl)methyl]p…

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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) 4.31 10.81 -6.95 0 5 0 30 433.596 10 ↓
Mid Mid (pH 6-8) 4.31 11.92 -44.19 1 5 1 31 434.604 10 ↓
Lo Low (pH 4.5-6) 4.31 13.09 -34.66 1 5 1 31 434.604 10 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholino-ethanamin N-[(3-fluorophenyl)methyl]-N-[[1…

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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) 4.01 10.56 -6.75 0 5 0 30 437.559 10 ↓
Mid Mid (pH 6-8) 4.01 10.95 -41.26 1 5 1 31 438.567 10 ↓
Lo Low (pH 4.5-6) 4.01 12.81 -44.67 1 5 1 31 438.567 10 ↓

Analogs

35841176
35841176
35844708
35844708
22578473
22578473

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Popular Name: N-benzyl-2-morpholino-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine N-benzyl-2-morpholino-N-[[1-[[3-…

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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) 4.70 12.1 -6.06 0 4 0 21 457.54 10 ↓
Mid Mid (pH 6-8) 4.70 12.62 -46.27 1 4 1 22 458.548 10 ↓
Lo Low (pH 4.5-6) 4.70 14.37 -43 1 4 1 22 458.548 10 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-morpholino-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl N-[(3-methoxyphenyl)methyl]-2-mo…

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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) 4.74 11.17 -8.29 0 5 0 30 487.566 11 ↓
Mid Mid (pH 6-8) 4.74 12.27 -50.77 1 5 1 31 488.574 11 ↓
Lo Low (pH 4.5-6) 4.74 13.42 -35.49 1 5 1 31 488.574 11 ↓

Parameters Provided:

ring.id = 17945
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 = 17945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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