| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 31 | 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) | 3.43 | 8.47 | -7.37 | 2 | 6 | 0 | 110 | 409.493 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 3.11 | -105.78 | 3 | 6 | 2 | 110 | 411.509 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 8.28 | -43.5 | 3 | 6 | 1 | 111 | 410.501 | 3 | ↓ |
