| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 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) | 3.34 | 10.88 | -75.1 | 1 | 6 | 0 | 74 | 408.498 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 8.35 | -57.75 | 0 | 6 | -1 | 73 | 407.49 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 1.09 | -42.99 | 2 | 6 | 1 | 71 | 409.506 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 0.94 | -45.58 | 1 | 6 | 1 | 68 | 409.506 | 9 | ↓ |
