| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 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) | 4.18 | 11.33 | -62.28 | 0 | 5 | -1 | 73 | 421.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 0.76 | -14 | 0 | 5 | 0 | 67 | 422.481 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.18 | 10.5 | -17.73 | 1 | 5 | 0 | 71 | 422.481 | 4 | ↓ |
