| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 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) | 3.29 | 10.82 | -74.36 | 1 | 6 | 0 | 74 | 408.498 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 8.28 | -62.04 | 0 | 6 | -1 | 73 | 407.49 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 11.04 | -56.14 | 1 | 6 | 1 | 68 | 409.506 | 7 | ↓ |
