| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 30th, 2006 | 31 | 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) | 2.72 | 9.11 | -36.4 | 2 | 8 | 1 | 92 | 423.493 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 9.51 | -37 | 3 | 8 | 1 | 96 | 423.493 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 8.62 | -18.75 | 1 | 8 | 0 | 91 | 422.485 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 8.94 | -43.12 | 2 | 8 | 1 | 93 | 423.493 | 8 | ↓ |
