| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 29 | 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) | 3.73 | 11.83 | -11.94 | 0 | 4 | 0 | 68 | 437.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 10.95 | -51.48 | 1 | 4 | -1 | 77 | 436.355 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 12.3 | -104.95 | 0 | 4 | -2 | 80 | 435.347 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 12.46 | -38.2 | 0 | 4 | -1 | 74 | 436.355 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 10.51 | -33.37 | 1 | 4 | -1 | 77 | 436.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.32 | 13.1 | -35.1 | 0 | 4 | -1 | 74 | 436.355 | 3 | ↓ |
