| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | 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) | 3.25 | 4.16 | -13.73 | 3 | 7 | 0 | 99 | 413.861 | 5 | ↓ |
| Ref Reference (pH 7) | 3.25 | 4.11 | -10.68 | 3 | 7 | 0 | 99 | 413.861 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 3.9 | -55.64 | 1 | 7 | -1 | 98 | 412.853 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 4.43 | -52.14 | 1 | 7 | -1 | 98 | 412.853 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 4.93 | -45.95 | 2 | 7 | -1 | 102 | 412.853 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 4.88 | -49.2 | 2 | 7 | -1 | 102 | 412.853 | 5 | ↓ |
