| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 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) | 3.94 | 9.23 | -7.2 | 2 | 6 | 0 | 110 | 423.52 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 2.99 | -108 | 3 | 6 | 2 | 110 | 425.536 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 9.05 | -43.55 | 3 | 6 | 1 | 111 | 424.528 | 4 | ↓ |
