| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 25 | No |
Popular Name: 4-DAMPMUSTARDHCL 4-DAMPMUSTARDHCL
Find On: PubMed — Wikipedia — Google
CAS Number: 130817-71-9
| 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) | 3.66 | 13.83 | -42.55 | 1 | 3 | 1 | 31 | 358.889 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 11.6 | -7.01 | 0 | 3 | 0 | 30 | 357.881 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 6310 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.31 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.