UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-BLAHyl-benzamide 3-nitro-N-BLAHyl-benzamide

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) 3.08 8.23 -23.32 1 8 0 106 371.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylpyridine-2-carboxamide N-BLAHylpyridine-2-carboxamide

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) 1.97 5.82 -14.29 1 6 0 73 327.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylpyridine-4-carboxamide N-BLAHylpyridine-4-carboxamide

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) 1.85 5.76 -16.04 1 6 0 73 327.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylbutanamide N-BLAHylbutanamide

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) 2.87 6 -15.52 1 5 0 60 292.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylfuran-2-carboxamide N-BLAHylfuran-2-carboxamide

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) 2.40 5.54 -14.35 1 6 0 74 316.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-fluoro-N-BLAHyl-benzamide 2-chloro-6-fluoro-N-BLAHyl-benza…

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) 3.89 7.87 -16.62 1 5 0 60 378.812 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-BLAHyl-thiophene-2-carboxamide 3-methyl-N-BLAHyl-thiophene-2-ca…

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) 3.42 7.18 -13.99 1 5 0 60 346.433 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylpropanamide N-BLAHylpropanamide

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) 2.31 5.23 -15.91 1 5 0 60 278.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-BLAHyl-pyridine-3-carboxamide 2-chloro-N-BLAHyl-pyridine-3-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) 2.87 6.21 -20.28 1 6 0 73 361.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylpyrazine-2-carboxamide N-BLAHylpyrazine-2-carboxamide

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) 1.67 3.96 -14.84 1 7 0 86 328.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylthiophene-2-carboxamide N-BLAHylthiophene-2-carboxamide

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) 3.04 6.49 -14.65 1 5 0 60 332.406 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-BLAHyl-pyrazine-2-carboxamide 5-methyl-N-BLAHyl-pyrazine-2-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) 1.89 4.57 -14.36 1 7 0 86 342.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-BLAHyl-pyridine-3-carboxamide 6-chloro-N-BLAHyl-pyridine-3-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) 2.92 6.17 -14.45 1 6 0 73 361.81 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-BLAHyl-benzamide 4-cyano-N-BLAHyl-benzamide

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) 2.90 7.93 -17.85 1 6 0 84 351.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylcyclobutanecarboxamide N-BLAHylcyclobutanecarboxamide

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) 2.47 6.52 -15.1 1 5 0 60 304.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-nitrophenyl)-N-BLAHyl-acetamide 2-(2-nitrophenyl)-N-BLAHyl-aceta…

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 8.59 -21.91 1 8 0 106 385.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)-N-BLAHyl-acetamide 2-(4-nitrophenyl)-N-BLAHyl-aceta…

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) 3.19 8.93 -23.24 1 8 0 106 385.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-dichloro-N-BLAHyl-pyridine-2-carboxamide 3,6-dichloro-N-BLAHyl-pyridine-2…

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) 4.01 6.74 -12.84 1 6 0 73 396.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methoxymethyl)-N-BLAHyl-benzamide 4-(methoxymethyl)-N-BLAHyl-benza…

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) 3.09 7.26 -16.24 1 6 0 70 370.43 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-BLAHyl-benzamide 3-cyano-N-BLAHyl-benzamide

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) 2.87 7.93 -20.9 1 6 0 84 351.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-BLAHyltetrahydrofuran-2-carboxamide (2R)-N-BLAHyltetrahydrofuran-2-c…

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) 1.80 5.77 -19.25 1 6 0 70 320.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-BLAHylcyclopropanecarboxamide N-BLAHylcyclopropanecarboxamide

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) 2.30 5.99 -15.13 1 5 0 60 290.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-BLAHyl-acetamide 2-(3,5-dimethylisoxazol-4-yl)-N-…

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) 2.09 6.49 -23.65 1 7 0 86 359.407 3 ↓

Parameters Provided:

ring.id = 43283
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 = 43283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=43283&filter.purchasability=annotated

Embed Link to Results