| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 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) | 2.19 | 4.97 | -59.07 | 1 | 7 | -1 | 93 | 439.463 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.3 | -76.43 | 2 | 7 | 0 | 94 | 440.471 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 6.48 | -56.2 | 3 | 7 | 1 | 92 | 441.479 | 7 | ↓ |
