In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 29 | No |
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) | 6.19 | 9.12 | -11.5 | 2 | 8 | 0 | 116 | 414.487 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.19 | 9.17 | -41.6 | 1 | 8 | -1 | 118 | 413.479 | 6 | ↓ |