| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2004 | 34 | 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) | 4.96 | 15.35 | -55.04 | 1 | 7 | -1 | 91 | 448.506 | 6 | ↓ |
| Ref Reference (pH 7) | 4.78 | 16.18 | -25.76 | 1 | 7 | 0 | 81 | 449.514 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.78 | 17.12 | -18.86 | 2 | 7 | 0 | 84 | 449.514 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 16.5 | -40.73 | 2 | 7 | 1 | 83 | 450.522 | 6 | ↓ |
