UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-1-[4-[4-[[2-hydroxy-3-methoxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]piperazin-1-yl]phenyl]-3 (E)-1-[4-[4-[[2-hydroxy-3-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) 6.57 14.84 -17.11 1 6 0 70 558.678 10 ↓
Mid Mid (pH 6-8) 6.57 18.03 -38.63 1 6 0 74 558.678 10 ↓
Mid Mid (pH 6-8) 6.57 15.7 -51.19 0 6 -1 73 557.67 10 ↓

Analogs

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Popular Name: (E)-1-[4-[4-[[2-hydroxy-3-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methyl]piperazin-1-y (E)-1-[4-[4-[[2-hydroxy-3-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) 6.69 13.49 -18.36 1 8 0 89 618.73 12 ↓
Mid Mid (pH 6-8) 6.69 16.65 -40.03 1 8 0 93 618.73 12 ↓
Mid Mid (pH 6-8) 6.69 14.33 -53.78 0 8 -1 91 617.722 12 ↓

Analogs

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Popular Name: (E)-3-(2-chlorophenyl)-1-[4-[4-[[5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-hydroxy-3-methoxy-phenyl]m (E)-3-(2-chlorophenyl)-1-[4-[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) 7.47 15.65 -19.62 1 6 0 70 627.568 10 ↓
Mid Mid (pH 6-8) 7.47 18.87 -40.58 1 6 0 74 627.568 10 ↓
Mid Mid (pH 6-8) 7.47 16.62 -53.07 0 6 -1 73 626.56 10 ↓

Analogs

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Popular Name: (E)-1-[4-[4-[[2-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methyl]piperazin-1-yl]phenyl]- (E)-1-[4-[4-[[2-hydroxy-5-[(E)-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) 7.11 13.46 -17.8 1 7 0 79 588.704 11 ↓
Mid Mid (pH 6-8) 7.11 16.5 -38.32 1 7 0 83 588.704 11 ↓
Mid Mid (pH 6-8) 7.11 15.75 -55.47 2 7 1 81 589.712 11 ↓

Analogs

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Popular Name: (E)-3-(2-chlorophenyl)-1-[4-[4-[[5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-hydroxy-phenyl]methyl]pipe (E)-3-(2-chlorophenyl)-1-[4-[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) 7.89 15.67 -19.05 1 5 0 61 597.542 9 ↓
Mid Mid (pH 6-8) 7.89 18.77 -39.09 1 5 0 65 597.542 9 ↓
Mid Mid (pH 6-8) 7.89 18.11 -60.68 2 5 1 62 598.55 9 ↓

Parameters Provided:

ring.id = 466375
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 = 466375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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