| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 32 | 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) | 4.55 | 9.57 | -8.41 | 2 | 5 | 0 | 101 | 460.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 2.52 | -109.19 | 3 | 5 | 2 | 101 | 462.384 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 11.99 | -45.17 | 3 | 5 | 1 | 102 | 461.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 9.41 | -50.88 | 3 | 5 | 1 | 102 | 461.376 | 3 | ↓ |
