UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(3R)-tetrah…

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) 0.76 3.58 -12.85 0 5 0 53 216.672 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(3S)-tetrah…

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) 0.76 3.64 -11.51 0 5 0 53 216.672 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[[(3S)-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) 0.86 4.59 -56.66 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.86 3.24 -9.87 1 6 0 65 253.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[[(3R)-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) 0.86 3.91 -55.48 2 6 1 69 254.358 6 ↓
Hi High (pH 8-9.5) 0.86 2.55 -9.7 1 6 0 65 253.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[[(3S)-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) -0.28 2.28 -57.87 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.28 0.95 -12.04 1 7 0 74 255.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[[(3R)-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) -0.28 1.59 -56.64 2 7 1 79 256.33 7 ↓
Mid Mid (pH 6-8) -0.28 0.26 -11.8 1 7 0 74 255.322 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methanamine [1-[[(3R)-tetrahydropyran-3-yl]m…

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) -0.64 0.44 -61.23 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.64 0 -11.59 2 6 0 79 197.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methanamine [1-[[(3S)-tetrahydropyran-3-yl]m…

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) -0.64 0.42 -62.92 3 6 1 80 198.25 3 ↓
Hi High (pH 8-9.5) -0.64 0.3 -11.51 2 6 0 79 197.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(3S)-tetrahydrop…

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) -0.26 2.29 -56.88 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.26 0.86 -10.18 1 6 0 65 211.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methanamine N-methyl-1-[1-[[(3R)-tetrahydrop…

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) -0.26 1.6 -56.16 2 6 1 69 212.277 4 ↓
Hi High (pH 8-9.5) -0.26 0.17 -10.01 1 6 0 65 211.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(3S)-tetrahydropyran-3-y…

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) 0.12 3.15 -56 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.12 1.79 -10.02 1 6 0 65 225.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(3R)-tetrahydropyran-3-y…

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) 0.12 2.45 -55.01 2 6 1 69 226.304 5 ↓
Hi High (pH 8-9.5) 0.12 1.11 -9.9 1 6 0 65 225.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(3S)-tetrahydropyran-3-y…

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) 0.62 3.9 -56.94 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.62 2.56 -9.88 1 6 0 65 239.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(3R)-tetrahydropyran-3-y…

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) 0.62 3.21 -55.92 2 6 1 69 240.331 6 ↓
Hi High (pH 8-9.5) 0.62 1.87 -9.73 1 6 0 65 239.323 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(3S)-tetrahydropyran-3-y…

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) 0.41 3.68 -54.27 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.41 2.46 -9.67 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(3R)-tetrahydropyran-3-y…

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) 0.41 2.99 -53.04 2 6 1 69 240.331 5 ↓
Hi High (pH 8-9.5) 0.41 1.77 -9.46 1 6 0 65 239.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(3S)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(3S)-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) 0.92 4.11 -51.11 2 6 1 69 254.358 5 ↓
Hi High (pH 8-9.5) 0.92 2.88 -9.55 1 6 0 65 253.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[[(3R)-tetrahydropyran-3-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[[(3R)-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) 0.92 3.41 -49.68 2 6 1 69 254.358 5 ↓
Hi High (pH 8-9.5) 0.92 2.19 -9.44 1 6 0 65 253.35 5 ↓

Parameters Provided:

ring.id = 151612
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 = 151612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=151612&filter.purchasability=annotated

Embed Link to Results