In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2005 | 31 | Yes |
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) | 4.09 | 12.67 | -58.06 | 2 | 6 | 1 | 61 | 413.501 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 10.45 | -17.18 | 1 | 6 | 0 | 59 | 412.493 | 5 | ↓ |