| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 29 | 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) | 1.38 | 4.18 | -54.68 | 1 | 8 | -1 | 112 | 462.276 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 4.94 | -104.86 | 0 | 8 | -2 | 115 | 461.268 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 2.89 | -21.56 | 2 | 8 | 0 | 109 | 463.284 | 7 | ↓ |
