| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 27 | 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) | 4.40 | 5.8 | -14.93 | 3 | 6 | 0 | 83 | 363.417 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 6.57 | -58.17 | 2 | 6 | -1 | 86 | 362.409 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 6.12 | -42.22 | 4 | 6 | 1 | 85 | 364.425 | 7 | ↓ |
