| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 25 | 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) | 0.32 | 5.69 | -12.63 | 2 | 9 | 0 | 111 | 334.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 5.08 | -40.02 | 1 | 9 | -1 | 117 | 333.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 5.05 | -47.93 | 2 | 9 | 0 | 121 | 334.343 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 5.98 | -96.13 | 4 | 9 | 2 | 116 | 336.359 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 5.7 | -38.65 | 3 | 9 | 1 | 115 | 335.351 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 5.69 | -51.68 | 3 | 9 | 1 | 115 | 335.351 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 6.19 | -113.39 | 4 | 9 | 2 | 116 | 336.359 | 3 | ↓ |
