| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 35 | 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) | 5.14 | 8.16 | -14.08 | 3 | 7 | 0 | 99 | 510.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 8.38 | -50.98 | 1 | 7 | -1 | 98 | 509.369 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 8 | -51.44 | 1 | 7 | -1 | 98 | 509.369 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 9.11 | -37.5 | 2 | 7 | -1 | 102 | 509.369 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.14 | 8.93 | -51.8 | 2 | 7 | -1 | 102 | 509.369 | 5 | ↓ |
