| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 27 | No |
Popular Name: tert-butylBLAHol tert-butylBLAHol
| 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) | 4.96 | 11.62 | -40.05 | 2 | 2 | 1 | 25 | 362.537 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.96 | 9.6 | -4.24 | 1 | 2 | 0 | 23 | 361.529 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0314690B1; EP0339950A2; EP0393838A1; EP0393838B1; EP0428754A1; EP0428754B1; EP0436157A1; EP0436157B1; EP0463119A1; EP0481342A1; EP0532642A1; EP0538395A1; EP0550444A1; EP0607129A1; EP0607129B1; EP0633882A1; EP0647222A1; EP0666737A1; EP0702010A1; EP070757 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1995.26231 | 0.30 | Functional ≤ 10μM |
