Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ttpckkpfupm3t757tglgoe24c7, 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: (2R)-2-methyl-1-nitroso-indoline (2R)-2-methyl-1-nitroso-indoline

Find On: PubMed — Wikipedia — Google

Vendors

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) 2.16 4.83 -7.02 0 3 0 33 162.192 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRN 2251135; CCRIS 1132; Dodecylamine, N-methyl-N-nitroso-; LS-7572; Laurylamine, N-methyl-N-nitroso-; N-Dodecyl-N-methylnitrosamine; N-Methyl-N-nitroso-1-dodecanamine; N-Methyl-N-nitrosolaurylamine; N-Nitroso-N-methyl-N-dodecylamin [German]; N-Nitrosomet BRN 2251135; CCRIS 1132; Dodecyl…

Find On: PubMed — Wikipedia — Google

Vendors

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) 5.62 8.93 -4.77 0 3 0 33 228.38 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitroso-n-methylaniline N-nitroso-n-methylaniline

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

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) 1.84 3.68 -5.35 0 3 0 33 136.154 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.03 1.92 -7.13 0 5 0 59 146.146 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.24 2.72 -11.14 0 5 0 59 160.173 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 55557-02-3; C19482; N-Nitrosoguvacoline 55557-02-3; C19482; N-Nitrosoguv…

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.59 1.15 -8.49 0 5 0 58 170.168 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-NITROSO-N-ETHYLUREA N-NITROSO-N-ETHYLUREA

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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) -0.21 0.12 -10.85 2 5 0 76 117.108 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitroso-methyl-ethylamine N-nitroso-methyl-ethylamine

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.52 0.93 -5.21 0 3 0 32 88.11 2 ↓

Analogs

39343436
39343436

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitroso-n-ethylaniline N-nitroso-n-ethylaniline

Find On: PubMed — Wikipedia — Google

Vendors

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) 2.21 1.54 -5.18 0 3 0 32 150.181 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-n-butyl nitrosamine N-ethyl-n-butyl nitrosamine

Find On: PubMed — Wikipedia — Google

Vendors

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) 1.96 3.59 -4.85 0 3 0 33 130.191 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis[(3R)-3,5,5-trimethylhexyl]nitrous N,N-bis[(3R)-3,5,5-trimethylhexy…

Find On: PubMed — Wikipedia — Google

Vendors

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) 6.12 10.69 -4.41 0 3 0 33 298.515 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis[(3S)-3,5,5-trimethylhexyl]nitrous N,N-bis[(3S)-3,5,5-trimethylhexy…

Find On: PubMed — Wikipedia — Google

Vendors

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) 6.12 10.53 -4.08 0 3 0 33 298.515 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3,5,5-trimethylhexyl]-N-[(3R)-3,5,5-trimethylhexyl]nitrous N-[(3S)-3,5,5-trimethylhexyl]-N-…

Find On: PubMed — Wikipedia — Google

Vendors

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) 6.12 10.61 -4.28 0 3 0 33 298.515 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-di(nonyl)nitrous N,N-di(nonyl)nitrous

Find On: PubMed — Wikipedia — Google

Vendors

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) 8.07 12.93 -4.32 0 3 0 33 298.515 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Nitroso-N,N-di-(7-methyloctyl)amine N-Nitroso-N,N-di-(7-methyloctyl)…

Find On: PubMed — Wikipedia — Google

Vendors

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) 7.02 12.39 -4.36 0 3 0 33 298.515 15 ↓
Lo Low (pH 4.5-6) 7.02 13 -12.5 1 3 0 34 299.523 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosodimethylamine N-nitrosodimethylamine

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 0.14 0.22 -5.64 0 3 0 33 74.083 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-Diisobutylnitrous amide N,N-Diisobutylnitrous amide

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 2.39 1.85 -4.43 0 3 0 32 158.245 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosodiisopropylamine N-nitrosodiisopropylamine

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

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) 1.49 3.36 -4.29 0 3 0 33 130.191 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosodi-n-hexylamine N-nitrosodi-n-hexylamine

Find On: PubMed — Wikipedia — Google

Vendors

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) 5.04 8.25 -4.36 0 3 0 33 214.353 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitroso dicyclohexylamine N-nitroso dicyclohexylamine

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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) 3.95 7.12 -3.55 0 3 0 33 210.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-NitrosodibutylaMine N-NitrosodibutylaMine

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 3.02 1.49 -4.42 0 3 0 32 158.245 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-NitrosodipropylaMine N-NitrosodipropylaMine

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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 1.25 -4.44 0 3 0 32 130.191 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosodiethylamine N-nitrosodiethylamine

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

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 2.05 -5.07 0 3 0 33 102.137 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRN 1842486; Benzenemethanamide, N-nitroso-N-(phenylmethyl)-; Benzenemethanamine, N-nitroso-N-(phenylmethyl)-; CCRIS 2061; Dibenzylamine, N-nitroso-; Dibenzylnitrosamin [German]; Dibenzylnitrosamine; LS-61691; N,N-Dibenzylnitrosamine; N-Nitrosodibenzylami BRN 1842486; Benzenemethanamide,…

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

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) 2.94 1.4 -6.37 0 3 0 32 226.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-(1-nitroso-4-piperidylidene)BLAH chloro-(1-nitroso-4-piperidylide…

Find On: PubMed — Wikipedia — Google

Vendors

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) 3.93 9.74 -7.06 0 4 0 46 339.826 1 ↓
Lo Low (pH 4.5-6) 3.93 10.12 -40.95 1 4 1 47 340.834 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosobis(2-oxopropyl)amine N-nitrosobis(2-oxopropyl)amine

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.77 2.27 -14.28 0 5 0 67 158.157 5 ↓

Analogs

4820537
4820537

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanol, 1,1'-(nitrosoimino)bis- 2-Propanol, 1,1'-(nitrosoimino)bis-

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.40 -3.74 -9.03 2 5 0 73 162.189 5 ↓

Analogs

4820539
4820539
4820536
4820536

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanol, 1,1'-(nitrosoimino)bis- 2-Propanol, 1,1'-(nitrosoimino)bis-

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.40 -3.82 -9.23 2 5 0 73 162.189 5 ↓

Analogs

4820537
4820537
4820539
4820539

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanol, 1,1'-(nitrosoimino)bis- 2-Propanol, 1,1'-(nitrosoimino)bis-

Find On: PubMed — Wikipedia — Google

Vendors

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) -0.40 -2.83 -9.11 2 5 0 73 162.189 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Nitrosodiethanolamine N-Nitrosodiethanolamine

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

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) -1.12 -3.81 -12.41 2 5 0 73 134.135 5 ↓

Analogs

4352941
4352941
19169969
19169969

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,6aS)-2-nitroso-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (3aS,6aS)-2-nitroso-3,3a,4,5,6,6…

Find On: PubMed — Wikipedia — Google

Vendors

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) 1.65 3.05 -4.48 0 3 0 33 140.186 1 ↓
Lo Low (pH 4.5-6) 1.65 3.95 -11.16 1 3 0 34 141.194 1 ↓

Analogs

4352941
4352941
19169969
19169969

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,6aR)-2-nitroso-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (3aR,6aR)-2-nitroso-3,3a,4,5,6,6…

Find On: PubMed — Wikipedia — Google

Vendors

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) 1.65 3.06 -4.43 0 3 0 33 140.186 1 ↓
Lo Low (pH 4.5-6) 1.65 3.94 -11.26 1 3 0 34 141.194 1 ↓

Analogs

4352941
4352941
19169969
19169969

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,6aS)-2-nitroso-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (3aR,6aS)-2-nitroso-3,3a,4,5,6,6…

Find On: PubMed — Wikipedia — Google

Vendors

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) 1.65 3.04 -4.68 0 3 0 33 140.186 1 ↓
Lo Low (pH 4.5-6) 1.65 3.87 -10.93 1 3 0 34 141.194 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Nitrosoatrazine N-Nitrosoatrazine

Find On: PubMed — Wikipedia — Google

Vendors

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) 2.17 8.18 -4.84 1 7 0 83 244.686 5 ↓

Analogs

5420989
5420989

Draw Identity 99% 90% 80% 70%

Popular Name: (R,S)-N-Nitrosoanatabine (R,S)-N-Nitrosoanatabine

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

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) 1.14 3.89 -9.11 0 4 0 46 189.218 2 ↓

Analogs

22065257
22065257

Draw Identity 99% 90% 80% 70%

Popular Name: (R,S)-N-NITROSOANATABINE (R,S)-N-NITROSOANATABINE

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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) 1.14 3.87 -8.92 0 4 0 46 189.218 2 ↓
Lo Low (pH 4.5-6) 1.14 4.15 -34.11 1 4 1 47 190.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[(2R)-1-nitroso-2-piperidyl]pyridin-1-ium-1-yl]tetrahydropyr (2R,3S,4S,5R,6R)-2-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Vendors

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) -4.78 -4.14 -33.47 4 9 1 127 354.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(2R)-1-nitroso-2-piperidyl]pyridin-1-ium-1-yl]tetrahydropyr (2R,3S,4S,5R,6S)-2-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Vendors

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) -4.78 -4.12 -32.3 4 9 1 127 354.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[(2S)-1-nitroso-2-piperidyl]pyridin-1-ium-1-yl]tetrahydropyr (2R,3S,4S,5R,6R)-2-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Vendors

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) -4.78 -4.14 -33.67 4 9 1 127 354.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(2S)-1-nitroso-2-piperidyl]pyridin-1-ium-1-yl]tetrahydropyr (2R,3S,4S,5R,6S)-2-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Vendors

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) -4.78 -4.13 -31.84 4 9 1 127 354.383 4 ↓

Analogs

3999315
3999315

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosoanabasine N-nitrosoanabasine

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

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) 1.40 4 -9.48 0 4 0 46 191.234 2 ↓
Lo Low (pH 4.5-6) 1.40 4.29 -33.67 1 4 1 47 192.242 2 ↓

Analogs

3999316
3999316

Draw Identity 99% 90% 80% 70%

Popular Name: N-nitrosoanabasine N-nitrosoanabasine

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

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) 1.40 3.99 -9.47 0 4 0 46 191.234 2 ↓
Lo Low (pH 4.5-6) 1.40 4.27 -33.67 1 4 1 47 192.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-NitrosoAkarditeII N-NitrosoAkarditeII

Find On: PubMed — Wikipedia — Google

Vendors

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) 3.43 7.45 -6.81 0 5 0 53 255.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S,4R,5R,6S)-5-[[(2R)-2-acetamido-3-methyl-3-nitrososulfanyl-butanoyl]amino]-3,4,6-triacetoxy-t [(2R,3S,4R,5R,6S)-5-[[(2R)-2-ace…

Find On: PubMed — Wikipedia — Google

Vendors

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 7.84 -23.27 2 15 0 202 549.555 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: RIG-200 RIG-200

Find On: PubMed — Wikipedia — Google

Vendors

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 1.69 -30.4 2 15 0 202 549.555 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl] (2S,3R,4S,5S,6S)-2-[(2S,3S,4S,5S…

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.04 -9.85 -15.36 7 11 0 179 418.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl] (2S,3R,4S,5S,6S)-2-[(2S,3R,4S,5S…

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.04 -10.09 -17.23 7 11 0 179 418.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-2-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl] (2S,3R,4S,5S,6S)-2-[(2S,3S,4S,5S…

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.04 -9.48 -16.38 7 11 0 179 418.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-2-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl] (2S,3R,4S,5S,6S)-2-[(2S,3R,4S,5S…

Find On: PubMed — Wikipedia — Google

Vendors

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) -2.04 -8.49 -15.84 7 11 0 179 418.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-Methyl-1H-pyrrol-2-yl)pyridine 3-(1-Methyl-1H-pyrrol-2-yl)pyridine

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) 1.52 5.57 -6.73 0 2 0 18 158.204 1 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = trc
filter.purchasability = purchasable

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  WHERE c.free = 1 AND c.short_name LIKE 'trc' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?catalog.name=trc&filter.purchasability=purchasable

Embed Link to Results