| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 38 | 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) | 5.45 | 14.87 | -70.03 | 1 | 7 | 0 | 87 | 510.59 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.45 | 12.6 | -58.43 | 0 | 7 | -1 | 86 | 509.582 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.90 | 13.8 | -56 | 2 | 7 | 1 | 84 | 511.598 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 14.81 | -56.04 | 1 | 7 | 1 | 81 | 511.598 | 10 | ↓ |
