Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_s2ugg7fpges6mh9loq3gb0dkb2, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15416821
15416821

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(p-tolyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propan-1-amine 3-(p-tolyl)-N-[[(2S)-tetrahydrof…

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) 2.89 7.85 -38.21 2 2 1 26 234.363 6 ↓

Analogs

15416821
15416821

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(p-tolyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propan-1-amine 3-(p-tolyl)-N-[[(2R)-tetrahydrof…

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) 2.89 7.86 -38.29 2 2 1 26 234.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-propan-1-ol (1S)-3-[ethyl-[[(2S)-tetrahydrof…

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) 2.18 6.66 -34.36 2 3 1 34 264.389 7 ↓
Hi High (pH 8-9.5) 2.18 4.18 -4.99 1 3 0 33 263.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-propan-1-ol (1R)-3-[ethyl-[[(2S)-tetrahydrof…

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) 2.18 6.6 -34.43 2 3 1 34 264.389 7 ↓
Hi High (pH 8-9.5) 2.18 4.15 -4.9 1 3 0 33 263.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-propan-1-ol (1S)-3-[methyl-[[(2S)-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) 1.80 5.97 -35.21 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 1.80 3.64 -5.01 1 3 0 33 249.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-1-phenyl-propan-1-ol (1R)-3-[methyl-[[(2S)-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) 1.80 5.94 -35.32 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 1.80 3.61 -5.26 1 3 0 33 249.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-ethyl-N-methyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-ethyl-N-methyl-1-phenyl-…

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) 1.83 6.65 -38.78 2 3 1 29 277.432 8 ↓
Mid Mid (pH 6-8) 1.83 7.71 -31.58 2 3 1 26 277.432 8 ↓
Lo Low (pH 4.5-6) 1.83 8.84 -108.41 3 3 2 30 278.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-ethyl-N-methyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N'-ethyl-N-methyl-1-phenyl-…

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) 1.83 6.35 -38.97 2 3 1 29 277.432 8 ↓
Mid Mid (pH 6-8) 1.83 7.69 -35 2 3 1 26 277.432 8 ↓
Lo Low (pH 4.5-6) 1.83 8.8 -111.54 3 3 2 30 278.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N,N'-diethyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N,N'-diethyl-1-phenyl-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 7.85 -34.71 2 3 1 29 291.459 9 ↓
Mid Mid (pH 6-8) 2.20 8.64 -35.06 2 3 1 26 291.459 9 ↓
Lo Low (pH 4.5-6) 2.20 9.65 -108.23 3 3 2 30 292.467 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N,N'-diethyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N,N'-diethyl-1-phenyl-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 7.52 -39.04 2 3 1 29 291.459 9 ↓
Mid Mid (pH 6-8) 2.20 8.66 -31.19 2 3 1 26 291.459 9 ↓
Lo Low (pH 4.5-6) 2.20 9.68 -109.97 3 3 2 30 292.467 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N,N'-dimethyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N,N'-dimethyl-1-phenyl-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) 1.45 5.85 -38.79 2 3 1 29 263.405 7 ↓
Mid Mid (pH 6-8) 1.45 7.14 -35.69 2 3 1 26 263.405 7 ↓
Lo Low (pH 4.5-6) 1.45 8.19 -107.68 3 3 2 30 264.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N,N'-dimethyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N,N'-dimethyl-1-phenyl-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) 1.45 5.73 -38.95 2 3 1 29 263.405 7 ↓
Mid Mid (pH 6-8) 1.45 7.01 -32.58 2 3 1 26 263.405 7 ↓
Lo Low (pH 4.5-6) 1.45 8.14 -110.15 3 3 2 30 264.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-N'-methyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N-ethyl-N'-methyl-1-phenyl-…

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) 1.83 6.55 -38.39 2 3 1 29 277.432 8 ↓
Mid Mid (pH 6-8) 1.83 7.94 -36.26 2 3 1 26 277.432 8 ↓
Lo Low (pH 4.5-6) 1.83 8.95 -110.44 3 3 2 30 278.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-N'-methyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N-ethyl-N'-methyl-1-phenyl-…

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) 1.83 6.56 -37.2 2 3 1 29 277.432 8 ↓
Mid Mid (pH 6-8) 1.83 7.94 -32.68 2 3 1 26 277.432 8 ↓
Lo Low (pH 4.5-6) 1.83 8.97 -109.44 3 3 2 30 278.44 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-methyl-1-phenyl-N-propyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-methyl-1-phenyl-N-propyl…

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) 2.33 7.3 -39.12 2 3 1 29 291.459 9 ↓
Mid Mid (pH 6-8) 2.33 8.78 -36.49 2 3 1 26 291.459 9 ↓
Lo Low (pH 4.5-6) 2.33 9.72 -112.71 3 3 2 30 292.467 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-methyl-1-phenyl-N-propyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N'-methyl-1-phenyl-N-propyl…

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) 2.33 7.33 -37.98 2 3 1 29 291.459 9 ↓
Mid Mid (pH 6-8) 2.33 8.71 -32.9 2 3 1 26 291.459 9 ↓
Lo Low (pH 4.5-6) 2.33 9.72 -111.51 3 3 2 30 292.467 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-ethyl-…

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) 1.29 5.25 -51.14 3 3 1 40 342.301 7 ↓
Hi High (pH 8-9.5) 1.29 4.95 -3.93 2 3 0 38 341.293 7 ↓
Mid Mid (pH 6-8) 1.29 7.44 -34.12 3 3 1 40 342.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-ethyl-…

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) 1.29 5.54 -51.45 3 3 1 40 342.301 7 ↓
Hi High (pH 8-9.5) 1.29 5.19 -4.4 2 3 0 38 341.293 7 ↓
Mid Mid (pH 6-8) 1.29 7.41 -37.19 3 3 1 40 342.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N'-ethyl-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-ethyl-…

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) 2.64 8.33 -34.13 2 3 1 26 356.328 8 ↓
Hi High (pH 8-9.5) 2.64 7.28 -43.27 2 3 1 29 356.328 8 ↓
Lo Low (pH 4.5-6) 2.64 9.47 -115.42 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N'-ethyl-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-ethyl-…

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) 2.64 8.48 -37.01 2 3 1 26 356.328 8 ↓
Hi High (pH 8-9.5) 2.64 7.27 -45.3 2 3 1 29 356.328 8 ↓
Lo Low (pH 4.5-6) 2.64 9.47 -118.09 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-ethyl-…

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) 1.26 7.38 -36.15 3 3 1 40 342.301 7 ↓
Hi High (pH 8-9.5) 1.26 4.9 -4.73 2 3 0 38 341.293 7 ↓
Hi High (pH 8-9.5) 1.26 5.24 -50.64 3 3 1 40 342.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-ethyl-…

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) 1.26 7.43 -33.08 3 3 1 40 342.301 7 ↓
Hi High (pH 8-9.5) 1.26 5.23 -4.23 2 3 0 38 341.293 7 ↓
Hi High (pH 8-9.5) 1.26 5.54 -51.02 3 3 1 40 342.301 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N'-ethyl-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-ethyl-…

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) 2.61 8.33 -33.4 2 3 1 26 356.328 8 ↓
Hi High (pH 8-9.5) 2.61 7.27 -42.32 2 3 1 29 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.46 -113.4 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N'-ethyl-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-ethyl-…

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) 2.61 8.31 -36.39 2 3 1 26 356.328 8 ↓
Hi High (pH 8-9.5) 2.61 6.97 -42.53 2 3 1 29 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.41 -117.17 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-ethyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-ethyl-1-(p-tolyl)-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) 0.93 5.31 -46.41 3 3 1 40 277.432 7 ↓
Mid Mid (pH 6-8) 0.93 7.49 -31.42 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 0.93 7.78 -115.24 4 3 2 41 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-ethyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N'-ethyl-1-(p-tolyl)-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) 0.93 5.59 -46.74 3 3 1 40 277.432 7 ↓
Mid Mid (pH 6-8) 0.93 7.46 -34.7 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 0.93 7.8 -117.83 4 3 2 41 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-ethyl-N-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-ethyl-N-methyl-1-(p-toly…

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) 2.28 7.03 -40.53 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 2.28 8.39 -31.56 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 2.28 9.48 -108.96 3 3 2 30 292.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-ethyl-N-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N'-ethyl-N-methyl-1-(p-toly…

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) 2.28 7.31 -40.82 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 2.28 8.54 -34.67 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 2.28 9.52 -111.37 3 3 2 30 292.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-ethyl-2-methyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S,2R)-N'-ethyl-2-methyl-1-phen…

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) 0.95 5.71 -44.52 3 3 1 40 277.432 7 ↓
Mid Mid (pH 6-8) 0.95 7.28 -34.65 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 0.95 7.6 -114.48 4 3 2 41 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-ethyl-2-methyl-1-phenyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S,2R)-N'-ethyl-2-methyl-1-phen…

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) 0.95 5.34 -44.86 3 3 1 40 277.432 7 ↓
Mid Mid (pH 6-8) 0.95 7.01 -34.25 3 3 1 40 277.432 7 ↓
Lo Low (pH 4.5-6) 0.95 7.34 -114.11 4 3 2 41 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-ethyl-N,2-dimethyl-1-phenyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S,2R)-N'-ethyl-N,2-dimethyl-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) 3.21 7.41 -38.34 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 3.21 8.45 -31.27 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 3.21 9.36 -97.13 3 3 2 30 292.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N'-ethyl-N,2-dimethyl-1-phenyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S,2R)-N'-ethyl-N,2-dimethyl-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) 3.21 7.63 -41.67 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 3.21 8.75 -30.83 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 3.21 9.4 -109.07 3 3 2 30 292.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-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) 0.91 6.7 -38.64 3 3 1 40 328.274 6 ↓
Hi High (pH 8-9.5) 0.91 4.33 -4.17 2 3 0 38 327.266 6 ↓
Hi High (pH 8-9.5) 0.91 4.63 -50.61 3 3 1 40 328.274 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(4-bromophenyl)-N'-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) 0.91 6.75 -34.8 3 3 1 40 328.274 6 ↓
Hi High (pH 8-9.5) 0.91 4.37 -4.56 2 3 0 38 327.266 6 ↓
Hi High (pH 8-9.5) 0.91 4.7 -50.68 3 3 1 40 328.274 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N,N'-dimethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N,N'-dime…

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) 2.26 7.63 -38.46 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 2.26 6.33 -44.56 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 2.26 8.74 -118.14 3 3 2 30 343.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N,N'-dimethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(4-bromophenyl)-N,N'-dime…

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) 2.26 7.63 -35.1 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 2.26 6.35 -43.36 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 2.26 8.75 -117.05 3 3 2 30 343.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(4-bromophenyl)-N-ethyl-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) 2.64 7.31 -41.58 2 3 1 29 356.328 8 ↓
Mid Mid (pH 6-8) 2.64 8.7 -38.2 2 3 1 26 356.328 8 ↓
Lo Low (pH 4.5-6) 2.64 9.65 -114 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(4-bromophenyl)-N-ethyl-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) 2.64 7.19 -41.73 2 3 1 29 356.328 8 ↓
Mid Mid (pH 6-8) 2.64 8.58 -35.29 2 3 1 26 356.328 8 ↓
Lo Low (pH 4.5-6) 2.64 9.6 -116.47 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-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) 0.89 6.68 -37.92 3 3 1 40 328.274 6 ↓
Hi High (pH 8-9.5) 0.89 4.32 -4.44 2 3 0 38 327.266 6 ↓
Hi High (pH 8-9.5) 0.89 4.62 -50.11 3 3 1 40 328.274 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N'-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) 0.89 6.74 -34.25 3 3 1 40 328.274 6 ↓
Hi High (pH 8-9.5) 0.89 4.36 -4.88 2 3 0 38 327.266 6 ↓
Hi High (pH 8-9.5) 0.89 4.69 -50.18 3 3 1 40 328.274 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N,N'-dimethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N,N'-dime…

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) 2.24 7.62 -37.55 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 2.24 6.32 -44.13 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 2.24 8.73 -116.71 3 3 2 30 343.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N,N'-dimethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N,N'-dime…

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) 2.24 7.61 -34.22 2 3 1 26 342.301 7 ↓
Hi High (pH 8-9.5) 2.24 6.34 -42.53 2 3 1 29 342.301 7 ↓
Lo Low (pH 4.5-6) 2.24 8.75 -115.25 3 3 2 30 343.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N-ethyl-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) 2.61 7.16 -42.18 2 3 1 29 356.328 8 ↓
Mid Mid (pH 6-8) 2.61 8.55 -37.83 2 3 1 26 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.57 -115.78 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-1-(3-bromophenyl)-N-ethyl-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) 2.61 7.18 -40.75 2 3 1 29 356.328 8 ↓
Mid Mid (pH 6-8) 2.61 8.57 -34.47 2 3 1 26 356.328 8 ↓
Lo Low (pH 4.5-6) 2.61 9.58 -114.43 3 3 2 30 357.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N'-methyl-1-(p-tolyl)-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) 0.55 4.78 -46.19 3 3 1 40 263.405 6 ↓
Mid Mid (pH 6-8) 0.55 6.76 -35.8 3 3 1 40 263.405 6 ↓
Lo Low (pH 4.5-6) 0.55 7.1 -117.06 4 3 2 41 264.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-methyl-1-(p-tolyl)-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) 0.55 4.79 -44.85 3 3 1 40 263.405 6 ↓
Mid Mid (pH 6-8) 0.55 6.81 -32.38 3 3 1 40 263.405 6 ↓
Lo Low (pH 4.5-6) 0.55 7.1 -114.41 4 3 2 41 264.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N,N'-dimethyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N,N'-dimethyl-1-(p-tolyl)-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) 1.90 6.41 -39 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 1.90 7.69 -36.06 2 3 1 26 277.432 7 ↓
Lo Low (pH 4.5-6) 1.90 8.81 -110.38 3 3 2 30 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N,N'-dimethyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N,N'-dimethyl-1-(p-tolyl)-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) 1.90 6.4 -40.19 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 1.90 7.68 -32.47 2 3 1 26 277.432 7 ↓
Lo Low (pH 4.5-6) 1.90 8.82 -111.59 3 3 2 30 278.44 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-N'-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N-ethyl-N'-methyl-1-(p-toly…

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) 2.28 7.37 -37.06 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 2.28 8.75 -35.79 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 2.28 9.7 -107.17 3 3 2 30 292.467 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-N'-methyl-1-(p-tolyl)-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1R)-N-ethyl-N'-methyl-1-(p-toly…

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) 2.28 7.24 -37.3 2 3 1 29 291.459 8 ↓
Mid Mid (pH 6-8) 2.28 8.62 -32.65 2 3 1 26 291.459 8 ↓
Lo Low (pH 4.5-6) 2.28 9.65 -109.61 3 3 2 30 292.467 8 ↓

Parameters Provided:

ring.id = 7336
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 = 7336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7336&filter.purchasability=annotated

Embed Link to Results