| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2005 | 5 | No |
Popular Name: Sodium fluoroacetate Sodium fluoroacetate
144-49-0; C06108; Cymonic acid; Fluoroacetate; Fluoroacetic acid; Gifblaar poison; HFA; UN 2642
4,6-Di-(tert-butyl)benzene-1,3-diol
62-74-8; C18588; Sodium fluoroacetate; Sodium monofluoroacetate
Acetic acid, fluoro-, thallium(I) salt; LS-12191; Thallium (I) fluoroacatate
FCH2CO2 anion; fluoroacetate; fluoroacetic acid, ion(1-)
Natriumfluoracetat; fluoroacetic acid sodium salt; sodium monofluoroacetate
sodiumfluoroacetate,fluoroaceticacidsodiumsalt,gifblaarpoison,compd1080
| 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 | 2.21 | -40.96 | 0 | 2 | -1 | 40 | 77.034 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 8.47 | -23.35 | 2 | 7 | 0 | 92 | 439.556 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | DEH1_MORSB; DEH2_MORSB; DEHA_BURSP; DEHA_RHOPA; FLK_STRCT | ChEBI |
| Therapy | inhibits citric acid cycle | SMDC MicroSource |
| Patent Database Links | US2005130274; US2007254037; US2008255170; WO2005033106 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.