| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 28 | 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) | 5.30 | 9.67 | -14.63 | 2 | 6 | 0 | 90 | 394.5 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.76 | 7.95 | -62.79 | 1 | 6 | -1 | 94 | 393.492 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.83 | 6.62 | -127.17 | 0 | 6 | -2 | 92 | 392.484 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.76 | 7.86 | -55.04 | 1 | 6 | -1 | 94 | 393.492 | 1 | ↓ |
