| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 15 | Yes |
| 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) | 1.94 | 3.57 | -42.1 | 3 | 2 | 1 | 31 | 225.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.16 | -1.46 | 2 | 2 | 0 | 29 | 224.373 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 5.94 | -109.24 | 4 | 2 | 2 | 32 | 226.389 | 3 | ↓ |
