UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814676
11814676

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Popular Name: (2R)-1-(azocan-1-yl)-3-[5-methoxy-2-[[(2-methoxy-2-methyl-propyl)amino]methyl]phenoxy]propan-2-ol (2R)-1-(azocan-1-yl)-3-[5-methox…

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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) 3.64 -1.85 -89.22 4 6 2 69 410.599 11 ↓

Analogs

11814674
11814674

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Popular Name: (2S)-1-(azocan-1-yl)-3-[5-methoxy-2-[[(2-methoxy-2-methyl-propyl)amino]methyl]phenoxy]propan-2-ol (2S)-1-(azocan-1-yl)-3-[5-methox…

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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) 3.64 -1.32 -90.51 4 6 2 69 410.599 11 ↓

Analogs

11839515
11839515
12714742
12714742
12714745
12714745

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Popular Name: (2S)-1-(azocan-1-yl)-3-[4-[(ethyl-(2-methylprop-2-enyl)amino)methyl]-2-methoxy-phenoxy]propan-2-ol (2S)-1-(azocan-1-yl)-3-[4-[(ethy…

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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) 4.26 1.22 -84.42 3 5 2 48 406.611 11 ↓

Analogs

11839513
11839513

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Popular Name: (2R)-1-(azocan-1-yl)-3-[4-[(ethyl-(2-methylprop-2-enyl)amino)methyl]-2-methoxy-phenoxy]propan-2-ol (2R)-1-(azocan-1-yl)-3-[4-[(ethy…

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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) 4.26 1.31 -84.27 3 5 2 48 406.611 11 ↓

Analogs

11841874
11841874

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Popular Name: 3-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1-o 3-[[4-[(2S)-3-(azocan-1-yl)-2-hy…

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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 -2.79 -93.33 5 6 2 80 410.599 11 ↓

Analogs

11841872
11841872

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Popular Name: 3-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]-2,2-dimethyl-propan-1-o 3-[[4-[(2R)-3-(azocan-1-yl)-2-hy…

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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 -3.33 -93.49 5 6 2 80 410.599 11 ↓

Analogs

11843633
11843633
12437800
12437800
12437801
12437801

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Popular Name: 4-[[[4-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]methyl]hepta-1,6-dien-4 4-[[[4-[(2R)-3-(azocan-1-yl)-2-h…

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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) 3.70 -2.28 -92.95 5 6 2 80 448.648 14 ↓

Analogs

12437800
12437800
12437801
12437801
11843632
11843632

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Popular Name: 4-[[[4-[(2S)-3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methylamino]methyl]hepta-1,6-dien-4 4-[[[4-[(2S)-3-(azocan-1-yl)-2-h…

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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) 3.70 -1.74 -92.96 5 6 2 80 448.648 14 ↓

Analogs

12208766
12208766

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Popular Name: (2S)-1-(azocan-1-yl)-3-[5-methoxy-2-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol (2S)-1-(azocan-1-yl)-3-[5-methox…

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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) 3.64 -1.8 -95.21 4 5 2 60 412.64 12 ↓

Analogs

12208758
12208758

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Popular Name: (2R)-1-(azocan-1-yl)-3-[5-methoxy-2-[(3-methylsulfanylpropylamino)methyl]phenoxy]propan-2-ol (2R)-1-(azocan-1-yl)-3-[5-methox…

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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) 3.64 -2.33 -94.09 4 5 2 60 412.64 12 ↓

Analogs

12209817
12209817

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Popular Name: 2-[[2-[(2S)-3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]propane-1,3-diol 2-[[2-[(2S)-3-(azocan-1-yl)-2-hy…

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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) 1.56 -5.57 -87.86 6 7 2 100 398.544 11 ↓

Analogs

12209809
12209809

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Popular Name: 2-[[2-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]propane-1,3-diol 2-[[2-[(2R)-3-(azocan-1-yl)-2-hy…

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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) 1.56 -6.11 -86.94 6 7 2 100 398.544 11 ↓

Analogs

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Popular Name: (2R)-1-[4-[[allyl(prop-2-ynyl)amino]methyl]-2-methoxy-phenoxy]-3-(azocan-1-yl)propan-2-ol (2R)-1-[4-[[allyl(prop-2-ynyl)am…

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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) 3.50 9.03 -40.95 2 5 1 46 401.571 11 ↓

Analogs

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Popular Name: (2S)-1-[4-[[allyl(prop-2-ynyl)amino]methyl]-2-methoxy-phenoxy]-3-(azocan-1-yl)propan-2-ol (2S)-1-[4-[[allyl(prop-2-ynyl)am…

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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) 3.50 9.4 -40.8 2 5 1 46 401.571 11 ↓

Analogs

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Popular Name: (2R)-1-(azocan-1-yl)-3-[4-[[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]methyl]-2-methoxy-phenoxy]p (2R)-1-(azocan-1-yl)-3-[4-[[[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) 3.63 9.8 -80.92 4 6 2 60 437.669 12 ↓

Analogs

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Popular Name: (2S)-1-(azocan-1-yl)-3-[4-[[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]methyl]-2-methoxy-phenoxy]p (2S)-1-(azocan-1-yl)-3-[4-[[[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) 3.63 10.17 -80.96 4 6 2 60 437.669 12 ↓

Parameters Provided:

ring.id = 47563
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 = 47563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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