In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2010 | 14 | 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) | -0.18 | 0.99 | -46.39 | 3 | 5 | 1 | 66 | 198.246 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.54 | -1.62 | -66.06 | 2 | 5 | 0 | 72 | 197.238 | 1 | ↓ |