| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 27 | 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) | 3.89 | 3.52 | -8.18 | 4 | 6 | 0 | 108 | 399.237 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 4.26 | -38.76 | 3 | 6 | -1 | 111 | 398.229 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 3.54 | -42.24 | 3 | 6 | -1 | 111 | 398.229 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.89 | 3.85 | -56.13 | 5 | 6 | 1 | 110 | 400.245 | 2 | ↓ |
