UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-indan-1-yl]thiochroman-4-amine (4R)-N-[(1R)-indan-1-yl]thiochro…

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) 3.14 10.48 -41.64 2 1 1 17 282.432 2 ↓
Hi High (pH 8-9.5) 3.14 9.34 -4.49 1 1 0 12 281.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-indan-1-yl]thiochroman-4-amine (4S)-N-[(1R)-indan-1-yl]thiochro…

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) 3.14 10.53 -41.51 2 1 1 17 282.432 2 ↓
Hi High (pH 8-9.5) 3.14 9.74 -4.7 1 1 0 12 281.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-indan-1-yl]thiochroman-4-amine (4R)-N-[(1S)-indan-1-yl]thiochro…

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) 3.14 10.52 -41.43 2 1 1 17 282.432 2 ↓
Hi High (pH 8-9.5) 3.14 9.31 -3.83 1 1 0 12 281.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-indan-1-yl]thiochroman-4-amine (4S)-N-[(1S)-indan-1-yl]thiochro…

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) 3.14 10.68 -41.99 2 1 1 17 282.432 2 ↓
Hi High (pH 8-9.5) 3.14 9.88 -3.87 1 1 0 12 281.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-fluoro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4R)-6-fluoro-N-[(1S)-indan-1-yl…

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) 3.28 10.57 -41.31 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.28 9.49 -3.86 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-fluoro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4R)-6-fluoro-N-[(1R)-indan-1-yl…

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) 3.28 9.79 -44.79 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.28 9.26 -3.79 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-fluoro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4S)-6-fluoro-N-[(1S)-indan-1-yl…

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) 3.28 9.44 -45.61 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.28 9.99 -4.11 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-fluoro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4S)-6-fluoro-N-[(1R)-indan-1-yl…

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) 3.28 10.52 -41.29 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.28 9.87 -4.85 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-indan-1-yl…

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) 3.79 11.02 -40.57 2 1 1 17 316.877 2 ↓
Hi High (pH 8-9.5) 3.79 9.93 -3.36 1 1 0 12 315.869 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-indan-1-yl…

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) 3.79 10.24 -43.98 2 1 1 17 316.877 2 ↓
Hi High (pH 8-9.5) 3.79 9.71 -3.47 1 1 0 12 315.869 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-indan-1-yl…

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) 3.79 9.88 -44.46 2 1 1 17 316.877 2 ↓
Hi High (pH 8-9.5) 3.79 10.44 -3.55 1 1 0 12 315.869 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-indan-1-yl…

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) 3.79 10.97 -40.48 2 1 1 17 316.877 2 ↓
Hi High (pH 8-9.5) 3.79 10.32 -4.19 1 1 0 12 315.869 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-indan-1-yl…

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) 3.26 10.54 -45.95 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.26 9.47 -5.48 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-indan-1-yl…

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) 3.26 9.76 -50.41 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.26 9.23 -6.51 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1S)-indan-1-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(1S)-indan-1-yl…

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) 3.26 9.43 -50.31 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.26 9.96 -5.71 1 1 0 12 299.414 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1R)-indan-1-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(1R)-indan-1-yl…

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) 3.26 10.49 -45.95 2 1 1 17 300.422 2 ↓
Hi High (pH 8-9.5) 3.26 9.84 -5.81 1 1 0 12 299.414 2 ↓

Parameters Provided:

ring.id = 25992
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 = 25992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25992&filter.purchasability=annotated

Embed Link to Results