| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 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) | 0.07 | 4.13 | -55.48 | 0 | 8 | -1 | 99 | 427.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | -3.23 | -55.36 | 1 | 8 | 1 | 93 | 429.522 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 6.48 | -70.51 | 1 | 8 | 0 | 100 | 428.514 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.52 | -2.67 | -122.79 | 3 | 8 | 2 | 98 | 430.53 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.51 | -3.12 | -112.49 | 2 | 8 | 2 | 95 | 430.53 | 6 | ↓ |
