In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2009 | 31 | Yes |
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) | 1.81 | 9.21 | -60.55 | 3 | 8 | 1 | 90 | 426.541 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 6.98 | -22.17 | 2 | 8 | 0 | 88 | 425.533 | 9 | ↓ |