| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 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) | -5.72 | -19.17 | -276.54 | 19 | 15 | 4 | 289 | 488.535 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.72 | -20.35 | -45.62 | 16 | 15 | 1 | 284 | 485.511 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.72 | -20.54 | -50.72 | 16 | 15 | 1 | 284 | 485.511 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.72 | -20.79 | -17.74 | 15 | 15 | 0 | 283 | 484.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.72 | -19.65 | -191.53 | 18 | 15 | 3 | 287 | 487.527 | 6 | ↓ |
