| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 12 | No |
| 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) | 2.15 | 3.74 | -7.29 | 1 | 5 | 0 | 75 | 169.184 | 2 | ↓ |
| Ref Reference (pH 7) | 2.15 | 3.69 | -5.85 | 1 | 5 | 0 | 75 | 169.184 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.58 | -30.81 | 0 | 5 | -1 | 73 | 168.176 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.58 | -30.83 | 0 | 5 | -1 | 73 | 168.176 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 110 - 115 | KeyOrganics |
