UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-phenyl-5,6,7,8-tetrahydrocinnolin-3-amine (6R)-6-phenyl-5,6,7,8-tetrahydro…

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) 2.96 6.43 -29.64 3 3 1 53 226.303 1 ↓
Mid Mid (pH 6-8) 2.96 6.32 -7.91 2 3 0 52 225.295 1 ↓
Lo Low (pH 4.5-6) 2.96 6.49 -29.94 3 3 1 53 226.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-phenyl-5,6,7,8-tetrahydrocinnolin-3-amine (6S)-6-phenyl-5,6,7,8-tetrahydro…

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) 2.96 6.43 -29.67 3 3 1 53 226.303 1 ↓
Mid Mid (pH 6-8) 2.96 6.32 -7.94 2 3 0 52 225.295 1 ↓
Lo Low (pH 4.5-6) 2.96 6.49 -29.93 3 3 1 53 226.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-phenyl-N-propyl-5,6,7,8-tetrahydrocinnolin-3-amine (6S)-6-phenyl-N-propyl-5,6,7,8-t…

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) 4.21 8.92 -28.35 2 3 1 39 268.384 4 ↓
Mid Mid (pH 6-8) 4.21 8.81 -7.12 1 3 0 38 267.376 4 ↓
Lo Low (pH 4.5-6) 4.21 8.99 -27.6 2 3 1 39 268.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-phenyl-N-propyl-5,6,7,8-tetrahydrocinnolin-3-amine (6R)-6-phenyl-N-propyl-5,6,7,8-t…

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) 4.21 8.92 -28.38 2 3 1 39 268.384 4 ↓
Mid Mid (pH 6-8) 4.21 8.81 -7.12 1 3 0 38 267.376 4 ↓
Lo Low (pH 4.5-6) 4.21 8.99 -27.67 2 3 1 39 268.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6R)-6-phenyl-5,6,7,8-tetrahydrocinnolin-3-yl]hydrazine [(6R)-6-phenyl-5,6,7,8-tetrahydr…

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) 2.71 6.26 -30.25 4 4 1 65 241.318 2 ↓
Mid Mid (pH 6-8) 2.71 6.15 -9.09 3 4 0 64 240.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6S)-6-phenyl-5,6,7,8-tetrahydrocinnolin-3-yl]hydrazine [(6S)-6-phenyl-5,6,7,8-tetrahydr…

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) 2.71 6.26 -30.3 4 4 1 65 241.318 2 ↓
Mid Mid (pH 6-8) 2.71 6.15 -9.08 3 4 0 64 240.31 2 ↓

Parameters Provided:

ring.id = 370700
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 = 370700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=370700&filter.purchasability=annotated

Embed Link to Results