Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_19dlrf5ancjtj35rmnr83coih7, 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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-cyclohexyl-N,6-dimethyl-piperidin-3-amine (3S,6R)-N-cyclohexyl-N,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) 2.75 6.63 -104.66 3 2 2 21 212.381 2 ↓
Hi High (pH 8-9.5) 2.75 4.41 -36.37 2 2 1 20 211.373 2 ↓
Hi High (pH 8-9.5) 2.75 3.17 -0.59 1 2 0 15 210.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-cyclohexyl-N,6-dimethyl-piperidin-3-amine (3S,6S)-N-cyclohexyl-N,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) 2.75 6.91 -105.2 3 2 2 21 212.381 2 ↓
Hi High (pH 8-9.5) 2.75 4.7 -35.47 2 2 1 20 211.373 2 ↓
Hi High (pH 8-9.5) 2.75 3.41 -0.53 1 2 0 15 210.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-cyclohexyl-N,6-dimethyl-piperidin-3-amine (3R,6R)-N-cyclohexyl-N,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) 2.75 6.92 -104.99 3 2 2 21 212.381 2 ↓
Hi High (pH 8-9.5) 2.75 4.74 -35.18 2 2 1 20 211.373 2 ↓
Hi High (pH 8-9.5) 2.75 3.49 -0.73 1 2 0 15 210.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-cyclohexyl-N,6-dimethyl-piperidin-3-amine (3R,6S)-N-cyclohexyl-N,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) 2.75 6.61 -104.62 3 2 2 21 212.381 2 ↓
Hi High (pH 8-9.5) 2.75 4.46 -35.48 2 2 1 20 211.373 2 ↓
Hi High (pH 8-9.5) 2.75 3.19 -0.66 1 2 0 15 210.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-cyclohexyl-N-ethyl-6-methyl-piperidin-3-amine (3R,6S)-N-cyclohexyl-N-ethyl-6-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) 3.13 7.08 -104.64 3 2 2 21 226.408 3 ↓
Hi High (pH 8-9.5) 3.13 5.24 -35.99 2 2 1 20 225.4 3 ↓
Hi High (pH 8-9.5) 3.13 3.85 -0.35 1 2 0 15 224.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-cyclohexyl-N-ethyl-6-methyl-piperidin-3-amine (3S,6S)-N-cyclohexyl-N-ethyl-6-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) 3.13 7.46 -102.85 3 2 2 21 226.408 3 ↓
Hi High (pH 8-9.5) 3.13 5.51 -35.11 2 2 1 20 225.4 3 ↓
Hi High (pH 8-9.5) 3.13 4.12 -0.36 1 2 0 15 224.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-(4-methylcyclohexyl)piperidin-3-amine (3R,6S)-N,6-dimethyl-N-(4-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) 2.52 5.78 -31.16 2 2 1 16 225.4 2 ↓
Hi High (pH 8-9.5) 2.52 4.88 -36.11 2 2 1 20 225.4 2 ↓
Lo Low (pH 4.5-6) 2.52 7.03 -105.99 3 2 2 21 226.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N,6-dimethyl-N-(4-methylcyclohexyl)piperidin-3-amine (3S,6S)-N,6-dimethyl-N-(4-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) 2.52 6.26 -31.87 2 2 1 16 225.4 2 ↓
Hi High (pH 8-9.5) 2.52 5.31 -35.34 2 2 1 20 225.4 2 ↓
Lo Low (pH 4.5-6) 2.52 7.53 -106.15 3 2 2 21 226.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1S,3R)-3-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1S,3R)-…

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) 2.76 7.25 -105.77 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.76 5.07 -35.85 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.76 3.83 -0.56 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1S,3S)-3-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1S,3S)-…

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) 2.76 7 -105.73 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.76 3.59 -0.52 1 2 0 15 224.392 2 ↓
Hi High (pH 8-9.5) 2.76 4.82 -35.68 2 2 1 20 225.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1R,3R)-3-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1R,3R)-…

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) 2.76 7 -105.74 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.76 4.79 -35.67 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.76 3.55 -0.59 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1R,3S)-3-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1R,3S)-…

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) 2.76 7.24 -105.76 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.76 5.03 -35.56 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.76 3.78 -0.56 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(4-ethylcyclohexyl)-N,6-dimethyl-piperidin-3-amine (3R,6S)-N-(4-ethylcyclohexyl)-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) 3.21 6.4 -31.58 2 2 1 16 239.427 3 ↓
Hi High (pH 8-9.5) 3.21 5.42 -35.89 2 2 1 20 239.427 3 ↓
Lo Low (pH 4.5-6) 3.21 7.67 -106.83 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(4-ethylcyclohexyl)-N,6-dimethyl-piperidin-3-amine (3S,6S)-N-(4-ethylcyclohexyl)-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) 3.21 6.65 -32.43 2 2 1 16 239.427 3 ↓
Hi High (pH 8-9.5) 3.21 5.79 -35.17 2 2 1 20 239.427 3 ↓
Lo Low (pH 4.5-6) 3.21 7.93 -107.39 3 2 2 21 240.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1S,2R)-…

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) 2.99 6.99 -105.46 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.99 3.69 -0.64 1 2 0 15 224.392 2 ↓
Hi High (pH 8-9.5) 2.99 5.3 -36.01 2 2 1 20 225.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1S,2S)-2-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1S,2S)-…

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) 2.99 7.14 -104.56 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.99 4.81 -36.31 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.99 3.55 -0.38 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1R,2R)-…

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) 2.99 6.95 -103.87 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.99 4.86 -35.94 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.99 3.61 -0.4 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]piperidin-3-amine (3R,6S)-N,6-dimethyl-N-[(1R,2S)-…

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) 2.99 6.81 -105.65 3 2 2 21 226.408 2 ↓
Hi High (pH 8-9.5) 2.99 4.88 -35.34 2 2 1 20 225.4 2 ↓
Hi High (pH 8-9.5) 2.99 4.02 -0.42 1 2 0 15 224.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]piperidin-3-amine (3R)-N-[(1S,2R,4R)-2,4-dimethylc…

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) 2.08 5.34 -38.16 3 2 1 29 211.373 2 ↓
Mid Mid (pH 6-8) 2.08 4.75 -31.62 3 2 1 29 211.373 2 ↓
Lo Low (pH 4.5-6) 2.08 6.1 -110.11 4 2 2 33 212.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]piperidin-3-amine (3R)-N-[(1S,2R,4S)-2,4-dimethylc…

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) 2.08 4.67 -37.83 3 2 1 29 211.373 2 ↓
Mid Mid (pH 6-8) 2.08 4.33 -33.96 3 2 1 29 211.373 2 ↓
Lo Low (pH 4.5-6) 2.08 5.68 -111.77 4 2 2 33 212.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]piperidin-3-amine (3R)-N-[(1R,2R,4R)-2,4-dimethylc…

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) 2.08 5.08 -37.82 3 2 1 29 211.373 2 ↓
Mid Mid (pH 6-8) 2.08 4.56 -33.5 3 2 1 29 211.373 2 ↓
Lo Low (pH 4.5-6) 2.08 5.89 -110.79 4 2 2 33 212.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]piperidin-3-amine (3R)-N-[(1R,2R,4S)-2,4-dimethylc…

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) 2.08 4.85 -37.92 3 2 1 29 211.373 2 ↓
Mid Mid (pH 6-8) 2.08 4.33 -33.56 3 2 1 29 211.373 2 ↓
Lo Low (pH 4.5-6) 2.08 5.66 -111.27 4 2 2 33 212.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Cyclohexyl-N-methyl-3-piperidinamine dihydrochloride N-Cyclohexyl-N-methyl-3-piperidi…

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) 2.07 6.22 -104.93 3 2 2 21 198.354 2 ↓
Mid Mid (pH 6-8) 2.07 4.01 -36.96 2 2 1 20 197.346 2 ↓
Mid Mid (pH 6-8) 2.07 4.89 -30.24 2 2 1 16 197.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Cyclohexyl-N-methyl-3-piperidinamine dihydrochloride N-Cyclohexyl-N-methyl-3-piperidi…

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) 2.07 6.22 -105.14 3 2 2 21 198.354 2 ↓
Mid Mid (pH 6-8) 2.07 4.04 -36.62 2 2 1 20 197.346 2 ↓
Mid Mid (pH 6-8) 2.07 4.88 -30.99 2 2 1 16 197.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD13561556 MFCD13561556

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) 2.45 6.65 -105.23 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.45 5.31 -28.63 2 2 1 16 211.373 3 ↓
Mid Mid (pH 6-8) 2.45 4.83 -37.16 2 2 1 20 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD13561556 MFCD13561556

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) 2.45 6.6 -102.74 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.45 5.25 -29.28 2 2 1 16 211.373 3 ↓
Mid Mid (pH 6-8) 2.45 4.71 -37.61 2 2 1 20 211.373 3 ↓

Parameters Provided:

ring.id = 316221
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 = 316221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=316221&filter.purchasability=annotated

Embed Link to Results