| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 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) | 1.71 | 7.26 | -63.91 | 0 | 7 | -1 | 95 | 414.441 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | -0.72 | -18.8 | 1 | 7 | 0 | 92 | 415.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | -0.69 | -25.61 | 0 | 7 | 0 | 89 | 415.449 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | -0.28 | -56.07 | 2 | 7 | 1 | 93 | 416.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | -0.28 | -48.83 | 2 | 7 | 1 | 93 | 416.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | -0.17 | -106.08 | 3 | 7 | 2 | 95 | 417.465 | 6 | ↓ |
