| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 9 | No |
Popular Name: Ammonium pyrrolidinedithiocarbamate Ammonium pyrrolidinedithiocarbamate
Find On: PubMed — Wikipedia — Google
CAS Number: 5108-96-3
| 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) | 1.27 | 4.52 | -53.32 | 1 | 2 | -1 | 17 | 161.275 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.69 | -41.88 | 1 | 2 | -1 | 17 | 161.275 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 3.23 | -9.47 | 1 | 2 | 0 | 17 | 162.283 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 7943 | 0.79 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.87 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.