| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 30 | 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) | 3.27 | 8.64 | -52.9 | 1 | 6 | 1 | 56 | 427.546 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 5.73 | -10.2 | 0 | 6 | 0 | 55 | 426.538 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 7.92 | -47.01 | 1 | 6 | 1 | 56 | 427.546 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.27 | 10.97 | -127.12 | 2 | 6 | 2 | 58 | 428.554 | 5 | ↓ |
