| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2006 | 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) | 3.36 | 3.07 | -13.42 | 2 | 5 | 0 | 70 | 266.304 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.3 | -87.61 | 4 | 5 | 2 | 69 | 268.32 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 3.48 | -39.4 | 3 | 5 | 1 | 72 | 267.312 | 2 | ↓ |
