| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2011 | 37 | 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) | -5.26 | -7.1 | -452.36 | 6 | 22 | -5 | 385 | 625.131 | 14 | ↓ |
| Mid Mid (pH 6-8) | -5.26 | -2.21 | -902.94 | 3 | 22 | -8 | 394 | 622.107 | 14 | ↓ |
| Mid Mid (pH 6-8) | -5.26 | -2.48 | -975.42 | 3 | 22 | -8 | 394 | 622.107 | 14 | ↓ |
| Mid Mid (pH 6-8) | -5.26 | -2.48 | -959.61 | 3 | 22 | -8 | 394 | 622.107 | 14 | ↓ |
| Mid Mid (pH 6-8) | -5.26 | -1.33 | -1196.48 | 2 | 22 | -9 | 397 | 621.099 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -5.26 | -6.82 | -406.99 | 6 | 22 | -5 | 385 | 625.131 | 14 | ↓ |
