| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 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) | 2.29 | 3.33 | -39.26 | 1 | 7 | -1 | 104 | 383.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.93 | -100.61 | 0 | 7 | -2 | 107 | 382.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 5.75 | -13.42 | 2 | 7 | 0 | 101 | 384.363 | 5 | ↓ |
