| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 32 | 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) | -5.70 | -15.8 | -418.08 | 20 | 14 | 5 | 276 | 472.56 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -16.86 | -109.94 | 17 | 14 | 2 | 271 | 469.536 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -18.1 | -103.8 | 17 | 14 | 2 | 271 | 469.536 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.70 | -16.23 | -314.21 | 19 | 14 | 4 | 275 | 471.552 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.70 | -16.11 | -293.26 | 19 | 14 | 4 | 275 | 471.552 | 6 | ↓ |
