UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42435800
42435800

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(m-tolyl)-N-[[(2R)-oxiran-2-yl]methyl]methanamine N-methyl-1-(m-tolyl)-N-[[(2R)-ox…

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) 2.00 6.15 -38.65 1 2 1 17 192.282 4 ↓

Analogs

42435799
42435799

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(m-tolyl)-N-[[(2S)-oxiran-2-yl]methyl]methanamine N-methyl-1-(m-tolyl)-N-[[(2S)-ox…

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) 2.00 6.16 -38.51 1 2 1 17 192.282 4 ↓

Analogs

42436040
42436040

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(o-tolyl)-N-[[(2R)-oxiran-2-yl]methyl]methanamine N-methyl-1-(o-tolyl)-N-[[(2R)-ox…

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) 1.98 6.19 -37.85 1 2 1 17 192.282 4 ↓
Hi High (pH 8-9.5) 1.98 4.18 -4.71 0 2 0 16 191.274 4 ↓

Analogs

42436039
42436039

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(o-tolyl)-N-[[(2S)-oxiran-2-yl]methyl]methanamine N-methyl-1-(o-tolyl)-N-[[(2S)-ox…

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) 1.98 6.15 -37.81 1 2 1 17 192.282 4 ↓
Hi High (pH 8-9.5) 1.98 4.13 -5 0 2 0 16 191.274 4 ↓

Analogs

42436784
42436784

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(2-fluorophenyl)-N-methyl-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) 1.69 5.59 -35.58 1 2 1 17 196.245 4 ↓
Hi High (pH 8-9.5) 1.69 3.23 -5.38 0 2 0 16 195.237 4 ↓

Analogs

42436783
42436783

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(2-fluorophenyl)-N-methyl-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) 1.69 5.42 -37.46 1 2 1 17 196.245 4 ↓
Hi High (pH 8-9.5) 1.69 3.08 -6.63 0 2 0 16 195.237 4 ↓

Analogs

42437020
42437020

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(4-fluorophenyl)-N-methyl-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) 1.74 5.55 -44.04 1 2 1 17 196.245 4 ↓
Hi High (pH 8-9.5) 1.74 3.2 -5.99 0 2 0 16 195.237 4 ↓

Analogs

42437019
42437019

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(4-fluorophenyl)-N-methyl-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) 1.74 5.55 -43.94 1 2 1 17 196.245 4 ↓
Hi High (pH 8-9.5) 1.74 3.2 -6.03 0 2 0 16 195.237 4 ↓

Analogs

42437267
42437267

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(3-chlorophenyl)-N-methyl-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) 2.23 6 -41.15 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.23 3.64 -5.08 0 2 0 16 211.692 4 ↓

Analogs

42437266
42437266

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(3-chlorophenyl)-N-methyl-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) 2.23 5.99 -41.95 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.23 3.64 -6.07 0 2 0 16 211.692 4 ↓

Analogs

42437521
42437521

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(2-chlorophenyl)-N-methyl-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) 2.20 6.01 -34.41 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.20 3.63 -4.56 0 2 0 16 211.692 4 ↓

Analogs

42437520
42437520

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(2-chlorophenyl)-N-methyl-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) 2.20 6.06 -33.91 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.20 3.33 -5.79 0 2 0 16 211.692 4 ↓

Analogs

42439215
42439215

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(4-chlorophenyl)-N-methyl-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) 2.25 6 -43.05 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.25 3.65 -5.34 0 2 0 16 211.692 4 ↓

Analogs

42439213
42439213

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(4-chlorophenyl)-N-methyl-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) 2.25 6 -42.88 1 2 1 17 212.7 4 ↓
Hi High (pH 8-9.5) 2.25 3.65 -5.38 0 2 0 16 211.692 4 ↓

Analogs

42439966
42439966

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(4-bromophenyl)-N-methyl-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) 2.38 6.11 -43.23 1 2 1 17 257.151 4 ↓
Hi High (pH 8-9.5) 2.38 3.76 -5.31 0 2 0 16 256.143 4 ↓

Analogs

42439964
42439964

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(4-bromophenyl)-N-methyl-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) 2.38 6.11 -43.08 1 2 1 17 257.151 4 ↓
Hi High (pH 8-9.5) 2.38 3.76 -5.34 0 2 0 16 256.143 4 ↓

Analogs

42440497
42440497

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(3-bromophenyl)-N-methyl-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) 2.36 6.11 -41.25 1 2 1 17 257.151 4 ↓
Hi High (pH 8-9.5) 2.36 3.75 -5.01 0 2 0 16 256.143 4 ↓

Analogs

42440496
42440496

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(3-bromophenyl)-N-methyl-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) 2.36 6.1 -42.03 1 2 1 17 257.151 4 ↓
Hi High (pH 8-9.5) 2.36 3.75 -6.02 0 2 0 16 256.143 4 ↓

Analogs

42441864
42441864

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(4-methoxyphenyl)-N-methyl-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) 1.63 4.78 -41.85 1 3 1 26 208.281 5 ↓

Analogs

42441862
42441862

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(4-methoxyphenyl)-N-methyl-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) 1.63 4.78 -41.39 1 3 1 26 208.281 5 ↓

Analogs

42441868
42441868

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(3-methoxyphenyl)-N-methyl-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) 1.61 4.78 -39.58 1 3 1 26 208.281 5 ↓
Hi High (pH 8-9.5) 1.61 2.43 -6.42 0 3 0 25 207.273 5 ↓

Analogs

42441866
42441866

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(3-methoxyphenyl)-N-methyl-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) 1.61 4.78 -40.25 1 3 1 26 208.281 5 ↓
Hi High (pH 8-9.5) 1.61 2.43 -7.56 0 3 0 25 207.273 5 ↓

Analogs

42441872
42441872

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(2-methoxyphenyl)-N-methyl-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) 1.58 4.93 -34.13 1 3 1 26 208.281 5 ↓

Analogs

42441870
42441870

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(2-methoxyphenyl)-N-methyl-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) 1.58 4.88 -35.64 1 3 1 26 208.281 5 ↓

Parameters Provided:

ring.id = 617675
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 = 617675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=617675&filter.purchasability=annotated

Embed Link to Results