| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 31 | No |
Popular Name: CASANTHRANOL [cascaroside A shown] CASANTHRANOL [cascaroside A shown]
Find On: PubMed — Wikipedia — Google
CAS Number: 8024-48-4
| 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) | -0.08 | -7.53 | -18.4 | 7 | 10 | 0 | 177 | 434.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -6.54 | -69.77 | 6 | 10 | -1 | 180 | 433.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | -6.54 | -65.63 | 6 | 10 | -1 | 180 | 433.389 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | laxative | MicroSource Spectrum |
| Therapy | laxative, antineoplastic | SMDC Pharmakon |
No pre-computed analogs available. Try a structural similarity search.
