In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 18 | 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) | 0.19 | 3.67 | -16.77 | 3 | 5 | 0 | 81 | 281.362 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 2.35 | -46.71 | 2 | 5 | -1 | 84 | 280.354 | 2 | ↓ |