| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 20 | 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) | 2.88 | 5.25 | -44.45 | 1 | 4 | -1 | 70 | 267.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 6.16 | -116.69 | 0 | 4 | -2 | 72 | 266.252 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 5.23 | -10.95 | 1 | 4 | 0 | 64 | 268.268 | 2 | ↓ |
