| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 37 | No |
None
| 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) | -5.00 | 8.27 | -193.16 | 2 | 14 | -3 | 218 | 524.503 | 20 | ↓ |
| Hi High (pH 8-9.5) | -5.00 | 8.36 | -190.27 | 2 | 14 | -3 | 222 | 524.503 | 20 | ↓ |
| Mid Mid (pH 6-8) | -5.00 | 13.2 | -148.46 | 3 | 14 | -2 | 223 | 525.511 | 20 | ↓ |
| Lo Low (pH 4.5-6) | -5.00 | 11.93 | -179.59 | 2 | 14 | -3 | 222 | 524.503 | 20 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.06e-01 g/l | DrugBank-approved |
No pre-computed analogs available. Try a structural similarity search.