| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 31 | 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) | 3.89 | 10.03 | -66.5 | 0 | 6 | -1 | 79 | 420.485 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 1.44 | -9.75 | 1 | 6 | 0 | 76 | 421.493 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 1.36 | -16.33 | 0 | 6 | 0 | 72 | 421.493 | 9 | ↓ |
