UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2041299
2041299

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Popular Name: Thurfyl Nicotinate (BAN) Thurfyl Nicotinate (BAN)

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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) 0.91 0.04 -7.73 0 4 0 48 207.229 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]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) 1.93 5.15 -6.53 0 4 0 48 241.674 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]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) 1.93 5.1 -6.55 0 4 0 48 241.674 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]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) 2.53 5.62 -5.22 0 4 0 48 276.119 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]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) 2.53 5.57 -5.27 0 4 0 48 276.119 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydrofuran-2-yl]methyl [(2S)-tetrahydrofuran-2-yl]methyl

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Activity (Go SEA)

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) 0.54 2.62 -8.18 2 5 0 74 222.244 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydrofuran-2-yl]methyl [(2R)-tetrahydrofuran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 2.56 -8.16 2 5 0 74 222.244 4 ↓

Parameters Provided:

ring.id = 502
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 = 502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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