| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 33 | 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) | 5.87 | 9.73 | -15.15 | 1 | 7 | 0 | 86 | 457.511 | 4 | ↓ |
| Ref Reference (pH 7) | 5.87 | 10.96 | -16.82 | 1 | 7 | 0 | 86 | 457.511 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.32 | 7.91 | -55.27 | 0 | 7 | -1 | 89 | 456.503 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.32 | 9.16 | -57.68 | 0 | 7 | -1 | 89 | 456.503 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.87 | 10.1 | -36.01 | 2 | 7 | 1 | 87 | 458.519 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.87 | 11.27 | -34.75 | 2 | 7 | 1 | 87 | 458.519 | 4 | ↓ |
