| 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) | 3.53 | 11.69 | -62.31 | 0 | 5 | -1 | 73 | 415.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 1.56 | -11.18 | 1 | 5 | 0 | 70 | 416.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 1.47 | -19.28 | 0 | 5 | 0 | 67 | 416.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 1.67 | -50.57 | 2 | 5 | 1 | 71 | 417.46 | 5 | ↓ |
