| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2006 | 28 | 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) | 1.75 | 8.36 | -18.8 | 2 | 6 | 0 | 80 | 408.508 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.93 | -42.97 | 1 | 6 | -1 | 83 | 407.5 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 8.81 | -53.08 | 3 | 6 | 1 | 81 | 409.516 | 5 | ↓ |
