| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 35 | Yes |
| 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) | 3.64 | 12.31 | -128.09 | 3 | 6 | 2 | 58 | 482.665 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 9.87 | -11.26 | 1 | 6 | 0 | 52 | 480.649 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 12 | -47.17 | 2 | 6 | 1 | 53 | 481.657 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 6.956 | Bitter DB |
