| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 27 | No |
Popular Name: Pafuramidine Pafuramidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 186953-56-0 , 837369-26-3
837369-26-3; D06629; DB289; Pafuramidine maleate (USAN)
| 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) | 1.97 | 7.81 | -15.67 | 4 | 7 | 0 | 108 | 364.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 8.16 | -42.67 | 5 | 7 | 1 | 108 | 365.413 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.09 | -73.65 | 6 | 7 | 2 | 107 | 366.421 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 8.07 | -37.11 | 5 | 7 | 1 | 110 | 365.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 7.78 | -39.99 | 5 | 7 | 1 | 110 | 365.413 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 16 | 0.40 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 5 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 15.5 | 0.40 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 4.5 | 0.43 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.