| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2009 | 30 | 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) | -5.41 | -4.57 | -149.24 | 12 | 15 | 0 | 281 | 433.422 | 14 | ↓ |
| Hi High (pH 8-9.5) | -5.41 | -4.89 | -118.41 | 11 | 15 | -1 | 280 | 432.414 | 14 | ↓ |
| Hi High (pH 8-9.5) | -5.38 | -4.94 | -118.85 | 11 | 15 | -1 | 277 | 432.414 | 15 | ↓ |
| Lo Low (pH 4.5-6) | -5.41 | -6.55 | -127.16 | 13 | 15 | 1 | 279 | 434.43 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -5.38 | -6.62 | -126.99 | 13 | 15 | 1 | 276 | 434.43 | 15 | ↓ |
