In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2006 | 30 | 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) | 3.21 | 8.23 | -56.17 | 0 | 6 | -1 | 79 | 412.437 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 7.48 | -13.51 | 1 | 6 | 0 | 76 | 413.445 | 9 | ↓ |