In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 16 | 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) | -0.98 | 5.47 | -29.57 | 3 | 4 | 0 | 71 | 220.272 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.98 | 5.11 | -44.71 | 2 | 4 | -1 | 69 | 219.264 | 3 | ↓ |