| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 33 | 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) | 3.93 | 11.93 | -12.97 | 2 | 8 | 0 | 94 | 438.491 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 11.81 | -46.57 | 1 | 8 | -1 | 96 | 437.483 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 12.3 | -35.4 | 3 | 8 | 1 | 99 | 439.499 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.93 | 12.17 | -48.24 | 3 | 8 | 1 | 95 | 439.499 | 5 | ↓ |
