| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | 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) | 4.05 | 6.81 | -39.82 | 3 | 2 | 1 | 31 | 358.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 8.46 | -34.28 | 3 | 2 | 1 | 30 | 358.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 6.12 | -1.22 | 2 | 2 | 0 | 29 | 357.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 8.76 | -121.9 | 4 | 2 | 2 | 32 | 359.377 | 3 | ↓ |
