| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 28 | 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) | 1.58 | 5.07 | -47.65 | 2 | 8 | -1 | 112 | 436.516 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.67 | -92.81 | 1 | 8 | -2 | 116 | 435.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.72 | -99.85 | 1 | 8 | -2 | 116 | 435.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.81 | -100.67 | 1 | 8 | -2 | 116 | 435.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.59 | -92.48 | 1 | 8 | -2 | 116 | 435.508 | 4 | ↓ |
