| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 30 | No |
None
None
| 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) | 3.68 | 6.12 | -9.12 | 1 | 6 | 0 | 72 | 411.498 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.89 | -48.58 | 0 | 6 | -1 | 75 | 410.49 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 8.38 | -39.21 | 2 | 6 | 1 | 73 | 412.506 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 9.12 | -33.96 | 1 | 6 | 0 | 76 | 411.498 | 9 | ↓ |
