| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2010 | 15 | Yes |
None
| 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) | 2.15 | 5.68 | -41.13 | 3 | 3 | 1 | 44 | 208.329 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 5.28 | -4 | 2 | 3 | 0 | 42 | 207.321 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 5.61 | -23.13 | 3 | 3 | 1 | 43 | 208.329 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.15 | 6.01 | -104.11 | 4 | 3 | 2 | 45 | 209.337 | 6 | ↓ |
