| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2011 | 33 | 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) | -3.70 | -7.93 | -288.43 | 15 | 12 | 4 | 212 | 479.619 | 8 | ↓ |
| Hi High (pH 8-9.5) | -3.70 | -10.95 | -7.03 | 11 | 12 | 0 | 200 | 475.587 | 8 | ↓ |
| Hi High (pH 8-9.5) | -3.70 | -9.74 | -38.91 | 12 | 12 | 1 | 204 | 476.595 | 8 | ↓ |
| Hi High (pH 8-9.5) | -3.70 | -10.57 | -50.26 | 12 | 12 | 1 | 201 | 476.595 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.70 | -7.69 | -412.27 | 16 | 12 | 5 | 214 | 480.627 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.70 | -8.09 | -286.75 | 15 | 12 | 4 | 212 | 479.619 | 8 | ↓ |
