| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 30 | 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) | 3.01 | 10.06 | -73.54 | 1 | 6 | 0 | 74 | 412.461 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 7.51 | -56.11 | 0 | 6 | -1 | 73 | 411.453 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 1.85 | -48.73 | 1 | 6 | 1 | 68 | 413.469 | 7 | ↓ |
