UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608175
43608175

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl(2-naphthyl)methyl]ethanamine N-[(S)-2-furyl(2-naphthyl)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) 4.09 9.31 -38.12 2 2 1 30 252.337 4 ↓

Analogs

43608171
43608171

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl(2-naphthyl)methyl]ethanamine N-[(R)-2-furyl(2-naphthyl)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) 4.09 9.31 -38.11 2 2 1 30 252.337 4 ↓

Analogs

43608780
43608780

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl(2-naphthyl)methyl]propan-1-amine N-[(S)-2-furyl(2-naphthyl)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) 4.59 10.07 -38.71 2 2 1 30 266.364 5 ↓

Analogs

43608777
43608777

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl(2-naphthyl)methyl]propan-1-amine N-[(R)-2-furyl(2-naphthyl)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) 4.59 10.07 -38.75 2 2 1 30 266.364 5 ↓

Analogs

43609651
43609651
51726633
51726633
51726635
51726635

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-furyl)-(2-naphthyl)methanamine (R)-(5-methyl-2-furyl)-(2-naphth…

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) 3.56 7.45 -45.28 3 2 1 41 238.31 2 ↓
Hi High (pH 8-9.5) 3.56 7.12 -5.91 2 2 0 39 237.302 2 ↓

Analogs

51726633
51726633
51726635
51726635
43609648
43609648

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-furyl)-(2-naphthyl)methanamine (S)-(5-methyl-2-furyl)-(2-naphth…

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) 3.56 7.45 -45.29 3 2 1 41 238.31 2 ↓
Hi High (pH 8-9.5) 3.56 7.12 -6.2 2 2 0 39 237.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-(2-naphthyl)methanol (S)-(5-bromo-2-furyl)-(2-naphthy…

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) 4.23 7.12 -6.21 1 2 0 33 303.155 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-furyl)-(2-naphthyl)methanol (R)-(5-bromo-2-furyl)-(2-naphthy…

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) 4.23 7 -6.31 1 2 0 33 303.155 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-(2-naphthyl)methanol (S)-(4,5-dibromo-2-furyl)-(2-nap…

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) 4.97 7.72 -5.84 1 2 0 33 382.051 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-(2-naphthyl)methanol (R)-(4,5-dibromo-2-furyl)-(2-nap…

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) 4.97 7.61 -5.88 1 2 0 33 382.051 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-(2-naphthyl)methanol (R)-(5-ethyl-2-furyl)-(2-naphthy…

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) 4.09 7.87 -6.61 1 2 0 33 252.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-(2-naphthyl)methanol (S)-(5-ethyl-2-furyl)-(2-naphthy…

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) 4.09 8 -6.61 1 2 0 33 252.313 3 ↓

Parameters Provided:

ring.id = 1145
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 = 1145 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1145&filter.purchasability=annotated

Embed Link to Results