| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2008 | 31 | 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) | 3.14 | 10.18 | -39.96 | 0 | 5 | -1 | 73 | 419.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 8.94 | -24.89 | 1 | 5 | 0 | 71 | 420.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 9.92 | -20.48 | 0 | 5 | 0 | 67 | 420.415 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.59 | 9.22 | -54.24 | 2 | 5 | 1 | 72 | 421.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.56 | 10.2 | -52.76 | 1 | 5 | 1 | 69 | 421.423 | 5 | ↓ |
