In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 29 | 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) | 5.50 | 9.35 | -8.06 | 0 | 4 | 0 | 43 | 413.876 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.50 | 12.33 | -43.23 | 1 | 4 | 1 | 44 | 414.884 | 2 | ↓ |