| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 27 | No |
| 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) | 0.46 | 2.07 | -69.14 | 2 | 8 | 0 | 121 | 386.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 1.54 | -20.71 | 1 | 8 | 0 | 120 | 385.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 2.02 | -62.03 | 2 | 8 | 0 | 121 | 386.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 1.23 | -25.38 | 1 | 8 | 0 | 123 | 385.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.03 | 1.16 | -26.08 | 1 | 8 | 0 | 123 | 385.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 1.6 | -20.15 | 1 | 8 | 0 | 120 | 385.425 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 2.04 | -65.08 | 3 | 8 | 0 | 119 | 387.441 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.46 | 1.98 | -69.16 | 3 | 8 | 0 | 119 | 387.441 | 6 | ↓ |
