| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 35 | 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) | 6.50 | 14.14 | -12.25 | 2 | 7 | 0 | 81 | 478.478 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.50 | 13.76 | -47.17 | 1 | 7 | -1 | 79 | 477.47 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.50 | 14.45 | -36.08 | 3 | 7 | 1 | 82 | 479.486 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.50 | 15.01 | -87.18 | 4 | 7 | 2 | 83 | 480.494 | 7 | ↓ |
