| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 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) | 2.36 | 12.26 | -19.98 | 0 | 7 | 0 | 114 | 413.47 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 9.96 | -42.78 | 1 | 7 | -1 | 123 | 412.462 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 10.52 | -133.26 | 0 | 7 | -2 | 126 | 411.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 9.83 | -40.11 | 1 | 7 | -1 | 123 | 412.462 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 12.88 | -50.95 | 0 | 7 | -1 | 120 | 412.462 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 12.34 | -38.89 | 0 | 7 | -1 | 120 | 412.462 | 4 | ↓ |
