| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2006 | 25 | Yes |
| 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) | 6.14 | 13.28 | -22.29 | 2 | 3 | 1 | 31 | 336.503 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.14 | 12.91 | -9.77 | 1 | 3 | 0 | 29 | 335.495 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.14 | 13.11 | -31.25 | 2 | 3 | 1 | 34 | 336.503 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.14 | 13.4 | -82.52 | 3 | 3 | 2 | 35 | 337.511 | 5 | ↓ |
