| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 29 | 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) | 0.23 | 5.28 | -58.15 | 3 | 7 | -1 | 119 | 393.419 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 2.69 | -118.1 | 2 | 7 | -2 | 125 | 392.411 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 6.33 | -53.41 | 4 | 7 | 0 | 123 | 394.427 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.23 | 5.49 | -47.74 | 4 | 7 | 0 | 123 | 394.427 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 3.95 | -87.24 | 3 | 7 | -1 | 129 | 393.419 | 4 | ↓ |
