UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6334315
6334315
44804194
44804194
44804197
44804197

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis(2-furylmethyl)cyclopropanecarboxamide N,N-bis(2-furylmethyl)cyclopropa…

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) 1.84 7.21 -9.69 0 4 0 47 245.278 5 ↓

Analogs

35701058
35701058
35701055
35701055
35701061
35701061
35123292
35123292
35123290
35123290

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[bis(2-furylmethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[bis(2-furylmethyl)car…

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) 1.32 7.88 -59.44 0 6 -1 87 288.279 6 ↓
Lo Low (pH 4.5-6) 1.32 6.28 -16.36 1 6 0 84 289.287 6 ↓

Analogs

35701058
35701058
35701055
35701055
35701061
35701061
35123292
35123292
35123290
35123290

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[bis(2-furylmethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[bis(2-furylmethyl)car…

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) 1.32 7.84 -50.34 0 6 -1 87 288.279 6 ↓
Lo Low (pH 4.5-6) 1.32 5.85 -11.33 1 6 0 84 289.287 6 ↓

Analogs

35701058
35701058
35701055
35701055
35701061
35701061
35123292
35123292
35123290
35123290

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[bis(2-furylmethyl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[bis(2-furylmethyl)car…

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) 1.32 7.84 -51.57 0 6 -1 87 288.279 6 ↓
Lo Low (pH 4.5-6) 1.32 5.84 -11.25 1 6 0 84 289.287 6 ↓

Analogs

35701058
35701058
35701055
35701055
35701061
35701061
35123292
35123292
35123290
35123290

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[bis(2-furylmethyl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[bis(2-furylmethyl)car…

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) 1.32 7.74 -53.66 0 6 -1 87 288.279 6 ↓
Lo Low (pH 4.5-6) 1.32 5.81 -15.53 1 6 0 84 289.287 6 ↓

Parameters Provided:

ring.id = 185702
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 = 185702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=185702&filter.purchasability=annotated

Embed Link to Results