| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 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) | 4.37 | 12.09 | -70.61 | 1 | 5 | 0 | 65 | 406.526 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 9.54 | -60.52 | 0 | 5 | -1 | 64 | 405.518 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 12.8 | -57.32 | 1 | 5 | 1 | 59 | 407.534 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.37 | 11.26 | -47.96 | 2 | 5 | 1 | 62 | 407.534 | 7 | ↓ |
