In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2008 | 15 | 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) | 2.13 | -5.16 | -10.09 | 2 | 4 | 0 | 66 | 229.301 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.13 | -4.59 | -38.27 | 1 | 4 | -1 | 68 | 228.293 | 5 | ↓ |