| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 28 | Yes |
| 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) | 3.89 | 10.03 | -16.24 | 1 | 6 | 0 | 73 | 441.329 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 10.95 | -34.98 | 3 | 6 | 1 | 77 | 442.337 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 10.52 | -34.64 | 2 | 6 | 1 | 74 | 442.337 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.89 | 10.36 | -42.52 | 2 | 6 | 1 | 74 | 442.337 | 6 | ↓ |
