| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 36 | No |
Popular Name: Pranlukast Pranlukast
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103177-37-3 , 150821-03-7
| 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) | 5.34 | 8.94 | -42.69 | 2 | 9 | 0 | 123 | 481.512 | 8 | ↓ |
| Ref Reference (pH 7) | 5.34 | 9.11 | -40.32 | 3 | 9 | 1 | 125 | 482.52 | 8 | ↓ |
| Ref Reference (pH 7) | 5.34 | 8.95 | -37.58 | 3 | 9 | 1 | 125 | 482.52 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.34 | 9.71 | -48.93 | 1 | 9 | -1 | 126 | 480.504 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.34 | 9.72 | -18.88 | 2 | 9 | 0 | 127 | 481.512 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.34 | 10.92 | -17.7 | 2 | 9 | 0 | 127 | 481.512 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.00e-03 g/l | DrugBank-approved |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0641569A1; EP0772597A1; EP0772600A1; EP0772601A1; EP0772606A1; EP0794942A1; EP0794942B1; EP0808304A1; EP0808304B1; EP0809636A1; EP0814804A1; EP0825989A1; EP0828718A1; EP0828736A1; EP0834314A1; EP0869126A1; EP0880504A1; EP0892791A1; EP0911039A2; EP092042 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
No pre-computed analogs available. Try a structural similarity search.