In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
None
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) | 3.06 | 8.2 | -12.08 | 0 | 6 | 0 | 59 | 413.477 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 8.97 | -53.3 | 1 | 6 | 0 | 60 | 414.485 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 8.66 | -44.02 | 1 | 6 | 1 | 60 | 414.485 | 4 | ↓ |