In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 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) | -2.33 | 1.36 | -41.92 | 4 | 4 | 0 | 88 | 207.295 | 8 | ↓ |
Hi High (pH 8-9.5) | -2.33 | 1.03 | -46.34 | 3 | 4 | -1 | 86 | 206.287 | 8 | ↓ |