In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 31 | 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) | 2.42 | 9.42 | -72.73 | 1 | 9 | 0 | 120 | 425.441 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 6.87 | -56.75 | 0 | 9 | -1 | 119 | 424.433 | 8 | ↓ |