| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 28 | No |
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) | 3.31 | 8.73 | -31.62 | 1 | 5 | 0 | 61 | 382.435 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.39 | -40.73 | 0 | 5 | -1 | 60 | 381.427 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 7.92 | -46.75 | 2 | 5 | 1 | 58 | 383.443 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.72 | -46.68 | 1 | 5 | 0 | 61 | 382.435 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 5.6 | -13.13 | 1 | 5 | 0 | 57 | 382.435 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 7.93 | -46.98 | 2 | 5 | 1 | 58 | 383.443 | 4 | ↓ |
