UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carbonitrile 3-[[(4R)-4,5,6,7-tetrahydrobenzo…

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) 2.20 6.21 -8.65 1 4 0 62 256.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carbonitrile 3-[[(4S)-4,5,6,7-tetrahydrobenzo…

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) 2.20 5.76 -8.54 1 4 0 62 256.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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) 2.20 4.92 -6.2 1 3 0 38 231.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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) 2.20 4.63 -6.17 1 3 0 38 231.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carbothioamide 3-[[(4R)-4,5,6,7-tetrahydrobenzo…

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) 2.24 5.02 -15.08 3 4 0 64 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carbothioamide 3-[[(4S)-4,5,6,7-tetrahydrobenzo…

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) 2.24 4.51 -14.33 3 4 0 64 290.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine 6-chloro-N-[(4R)-4,5,6,7-tetrahy…

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) 3.00 5.34 -5.21 1 3 0 38 265.769 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine 6-chloro-N-[(4S)-4,5,6,7-tetrahy…

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) 3.00 5.05 -5.03 1 3 0 38 265.769 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine 3-chloro-N-[(4R)-4,5,6,7-tetrahy…

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) 3.00 6.37 -6.67 1 3 0 38 265.769 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazin-2-amine 3-chloro-N-[(4S)-4,5,6,7-tetrahy…

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) 3.00 5.94 -6.58 1 3 0 38 265.769 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carboxylic 3-[[(4R)-4,5,6,7-tetrahydrobenzo…

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) 2.01 6.72 -51.61 1 5 -1 78 274.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyrazine-2-carboxylic 3-[[(4S)-4,5,6,7-tetrahydrobenzo…

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) 2.01 6.11 -52.65 1 5 -1 78 274.325 3 ↓

Parameters Provided:

ring.id = 211987
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 = 211987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=211987&filter.purchasability=annotated

Embed Link to Results