| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 30 | 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) | 1.89 | 5.76 | -12.31 | 2 | 8 | 0 | 102 | 409.442 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 1.29 | -43.63 | 1 | 8 | -1 | 109 | 408.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 3.95 | -46.6 | 1 | 8 | -1 | 106 | 408.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 4.48 | -46.38 | 3 | 8 | 1 | 108 | 410.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 2.67 | -52.78 | 2 | 8 | 0 | 111 | 409.442 | 6 | ↓ |
