| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 20 | Yes |
Popular Name: chaulmoogric acid chaulmoogric acid
Find On: PubMed — Wikipedia — Google
CAS Number: 502-30-7
| 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) | 6.44 | 13.93 | -43.6 | 0 | 2 | -1 | 40 | 279.444 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 6.44 | 11.95 | -5.31 | 1 | 2 | 0 | 37 | 280.452 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antibacterial (mycobacteria) | MicroSource Spectrum |
| PUBCHEM_PATENT_ID | EP0014815A2; EP0022048A1; EP0088932A1; EP0114787A2; EP0114787B1; EP0168816A2; EP0188535A1; EP0220965A2; EP0220965B1; EP0269869A2; EP0296505A1; EP0307551A2; EP0392170A2; EP0392170B1; EP0392171A2; EP0392171B1; EP0395014A1; EP0395014B1; EP0686510B1; EP073348 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| REST-2-B | Telomere Resolvase ResT (cluster #2 Of 2), Bacterial | Bacteria | 2620 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| REST_BORBU | O50979 | Telomere Resolvase ResT, Borbu | 2620 | 0.39 | Binding ≤ 10μM |
