In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2010 | 13 | 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) | 0.69 | 0.07 | -12.73 | 2 | 4 | 0 | 61 | 181.191 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 1.28 | -56.46 | 1 | 4 | -1 | 64 | 180.183 | 1 | ↓ |