| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 29 | 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) | 3.21 | 7.96 | -29.44 | 1 | 6 | 0 | 70 | 394.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 5.56 | -43.93 | 0 | 6 | -1 | 69 | 393.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 8.05 | -54.68 | 1 | 6 | 0 | 70 | 394.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 7.4 | -46.2 | 2 | 6 | 1 | 67 | 395.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 4.94 | -8.96 | 1 | 6 | 0 | 66 | 394.471 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 7.34 | -53.04 | 2 | 6 | 1 | 67 | 395.479 | 5 | ↓ |
