| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2007 | 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) | 4.13 | 11.43 | -69.62 | 1 | 6 | 0 | 74 | 463.361 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 8.9 | -51.32 | 0 | 6 | -1 | 73 | 462.353 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.57 | 1.67 | -48.07 | 2 | 6 | 1 | 71 | 464.369 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 1.28 | -53.77 | 1 | 6 | 1 | 68 | 464.369 | 7 | ↓ |
