UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-propyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidin-4-amine 2-[(4-propyl-1-piperidyl)methyl]…

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) 3.21 7.83 -33.88 3 4 1 56 291.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(4-propyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-methyl-2-[(4-propyl-1-piperidy…

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) 3.58 8.99 -33.56 2 4 1 42 305.471 5 ↓

Analogs

44513996
44513996
9672628
9672628
9869988
9869988

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-[(4-amino-1-piperidyl)methyl]-…

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) 0.68 2.35 -47.62 5 5 1 83 292.432 2 ↓
Mid Mid (pH 6-8) 0.68 4.29 -33.71 5 5 1 82 292.432 2 ↓

Analogs

25523368
25523368

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5,6-dimethyl-2-[(4-methyl-1-piperidyl)methyl]thieno[3,2-e]pyrimidin-4-yl]-methyl-amino]-N,N-diet 2-[[5,6-dimethyl-2-[(4-methyl-1-…

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 12.35 -39.4 1 6 1 54 418.631 7 ↓

Analogs

3296767
3296767

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2R)-2-ethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(2R)-2-ethyl-1-pipe…

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) 4.38 9.62 -29.23 1 3 1 30 324.901 3 ↓

Analogs

3296767
3296767

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2S)-2-ethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(2S)-2-ethyl-1-pipe…

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) 4.38 9.66 -29.27 1 3 1 30 324.901 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(4-ethyl-4-methyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[(4-ethyl-4-methyl-1-…

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) 3.90 8.78 -33.47 1 3 1 30 310.874 3 ↓
Hi High (pH 8-9.5) 3.90 6.53 -5.91 0 3 0 29 309.866 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(4,4-diethyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidine 4-chloro-2-[(4,4-diethyl-1-piper…

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) 4.24 9.25 -33.93 1 3 1 30 324.901 4 ↓
Hi High (pH 8-9.5) 4.24 7 -5.79 0 3 0 29 323.893 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-4-methyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidin-4-amine 2-[(4-ethyl-4-methyl-1-piperidyl…

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 7.2 -33.54 3 4 1 56 291.444 3 ↓
Hi High (pH 8-9.5) 2.71 4.95 -8.11 2 4 0 55 290.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-[(4-ethyl-4-methyl-1-piperidyl…

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 8.36 -33.24 2 4 1 42 305.471 4 ↓
Hi High (pH 8-9.5) 3.08 6.1 -8.24 1 4 0 41 304.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4,4-diethyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidin-4-amine 2-[(4,4-diethyl-1-piperidyl)meth…

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 7.66 -33.88 3 4 1 56 305.471 4 ↓
Hi High (pH 8-9.5) 3.04 5.41 -7.82 2 4 0 55 304.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-ethyl-4-methyl-1-piperidyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-[(4-ethyl-4-methyl-1-piperidy…

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 7.06 -33.17 4 5 1 68 306.459 4 ↓
Hi High (pH 8-9.5) 2.47 4.82 -8.74 3 5 0 67 305.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (3S)-1-[(4-chloro-5,6-dimethyl-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) 2.36 5.19 -32.58 2 4 1 50 312.846 2 ↓
Hi High (pH 8-9.5) 2.36 2.95 -7.03 1 4 0 49 311.838 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (3R)-1-[(4-chloro-5,6-dimethyl-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) 2.36 5.2 -32.6 2 4 1 50 312.846 2 ↓
Hi High (pH 8-9.5) 2.36 2.95 -6.96 1 4 0 49 311.838 2 ↓

Analogs

36169508
36169508
36169509
36169509

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(3S,5R)-3,5-dimethy…

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) 4.23 9.75 -32.04 1 3 1 30 324.901 2 ↓

Analogs

36169508
36169508
36169509
36169509

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(3S,5S)-3,5-dimethy…

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) 4.23 9.74 -31.5 1 3 1 30 324.901 2 ↓

Analogs

36169508
36169508
36169509
36169509

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(3R,5R)-3,5-dimethy…

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) 4.23 9.74 -31.78 1 3 1 30 324.901 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol 1-[(4-chloro-5,6-dimethyl-thieno…

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) 1.63 5.21 -36.14 2 4 1 50 312.846 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(2S,6R)-2,6-dimethy…

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) 4.17 9.51 -29.57 1 3 1 30 324.901 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(2S,6S)-2,6-dimethy…

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) 4.17 9.09 -27.59 1 3 1 30 324.901 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2R,6R)-2,6-dimethyl-1-piperidyl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[[(2R,6R)-2,6-dimethy…

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) 4.17 9.2 -27.56 1 3 1 30 324.901 2 ↓

Parameters Provided:

ring.id = 16491
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 = 16491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16491&filter.purchasability=annotated

Embed Link to Results