| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 18 | Yes |
Popular Name: methoxyBLAHdiamine methoxyBLAHdiamine
| 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) | 2.14 | 5.08 | -27.85 | 5 | 5 | 1 | 88 | 241.274 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.61 | -9.62 | 4 | 5 | 0 | 87 | 240.266 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424-1-O | Cryptosporidium Parvum (cluster #1 Of 2), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424 | Z50424 | Cryptosporidium Parvum | 0.1 | 0.78 | Functional ≤ 10μM |
